2,2-dimethyl-N-[N'-[(8E,14E,22E)-4,6,10,12,16,18,20,24,26-nonahydroxyoctacosa-8,14,22-trienyl]carbamimidoyl]propanamide;1-hexylidene-2-[(8E,14E,22E)-4,6,10,12,16,18,20,24,26-nonahydroxyoctacosa-8,14,22-trienyl]guanidine;N-[N'-[(8E,14E,22E)-4,6,10,12,16,18,20,24,26-nonahydroxyoctacosa-8,14,22-trienyl]carbamimidoyl]pyridine-2-carboxamide;tris((3E,5E,7E,11E,17E,19E,21E,23E,25E,27E)-14,16,30-trihydroxy-3,13,15,31-tetramethyltritriaconta-3,5,7,11,17,19,21,23,25,27-decaene-2,32-dione)

C215H342N10O44 — CID 158415698

IUPAC2,2-dimethyl-N-[N'-[(8E,14E,22E)-4,6,10,12,16,18,20,24,26-nonahydroxyoctacosa-8,14,22-trienyl]carbamimidoyl]propanamide;1-hexylidene-2-[(8E,14E,22E)-4,6,10,12,16,18,20,24,26-nonahydroxyoctacosa-8,14,22-trienyl]guanidine;N-[N'-[(8E,14E,22E)-4,6,10,12,16,18,20,24,26-nonahydroxyoctacosa-8,14,22-trienyl]carbamimidoyl]pyridine-2-carboxamide;tris((3E,5E,7E,11E,17E,19E,21E,23E,25E,27E)-14,16,30-trihydroxy-3,13,15,31-tetramethyltritriaconta-3,5,7,11,17,19,21,23,25,27-decaene-2,32-dione)
SMILESCC(=O)/C(C)=C/C=C/C=C/CC/C=C/C(C)C(O)C(C)C(O)/C=C/C=C/C=C/C=C/C=C/C=C/CC(O)C(C)C(C)=O.CC(=O)/C(C)=C/C=C/C=C/CC/C=C/C(C)C(O)C(C)C(O)/C=C/C=C/C=C/C=C/C=C/C=C/CC(O)C(C)C(C)=O.CC(=O)/C(C)=C/C=C/C=C/CC/C=C/C(C)C(O)C(C)C(O)/C=C/C=C/C=C/C=C/C=C/C=C/CC(O)C(C)C(C)=O.CCC(O)CC(O)/C=C/CC(O)CC(O)CC(O)/C=C/CC(O)CC(O)/C=C/CC(O)CC(O)CCC/N=C(\N)NC(=O)C(C)(C)C.CCC(O)CC(O)/C=C/CC(O)CC(O)CC(O)/C=C/CC(O)CC(O)/C=C/CC(O)CC(O)CCC/N=C(\N)NC(=O)c1ccccn1.CCCCCC=N/C(N)=N/CCCC(O)CC(O)C/C=C/C(O)CC(O)C/C=C/C(O)CC(O)CC(O)C/C=C/C(O)CC(O)CC
InChIInChI=1S/3C37H52O5.C35H58N4O10.C35H65N3O9.C34H63N3O10/c3*1-29(33(5)38)25-21-17-13-12-14-18-22-26-30(2)37(42)32(4)36(41)28-24-20-16-11-9-7-8-10-15-19-23-27-35(40)31(3)34(6)39;1-2-24(40)19-25(41)9-5-13-29(45)22-32(48)23-30(46)14-7-12-27(43)20-26(42)10-6-11-28(44)21-31(47)15-8-18-38-35(36)39-34(49)33-16-3-4-17-37-33;1-3-5-6-7-19-37-35(36)38-20-11-18-33(46)23-30(43)14-9-13-28(41)22-29(42)15-10-17-32(45)25-34(47)24-31(44)16-8-12-27(40)21-26(39)4-2;1-5-23(38)18-24(39)10-6-14-28(43)21-31(46)22-29(44)15-8-13-26(41)19-25(40)11-7-12-27(42)20-30(45)16-9-17-36-33(35)37-32(47)34(2,3)4/h3*7-13,15-17,19-26,28,30-32,35-37,40-42H,14,18,27H2,1-6H3;3-7,9-10,14,16-17,24-32,40-48H,2,8,11-13,15,18-23H2,1H3,(H3,36,38,39,49);8-10,12-13,17,19,26-34,39-47H,3-7,11,14-16,18,20-25H2,1-2H3,(H2,36,38);6-8,10-11,15,23-31,38-46H,5,9,12-14,16-22H2,1-4H3,(H3,35,36,37,47)/b3*8-7+,11-9+,13-12+,15-10+,20-16+,21-17+,23-19+,26-22+,28-24+,29-25+;9-5+,10-6+,14-7+;12-8+,13-9+,17-10+,37-19?;10-6+,11-7+,15-8+
InChIKeyGZWFJCODXQYGDU-LQVANFSPSA-N
MW3771.13 g/mol
LogP25.06
Rot. Bonds137

About 2,2-dimethyl-N-[N'-[(8E,14E,22E)-4,6,10,12,16,18,20,24,26-nonahydroxyoctacosa-8,14,22-trienyl]carbamimidoyl]propanamide;1-hexylidene-2-[(8E,14E,22E)-4,6,10,12,16,18,20,24,26-nonahydroxyoctacosa-8,14,22-trienyl]guanidine;N-[N'-[(8E,14E,22E)-4,6,10,12,16,18,20,24,26-nonahydroxyoctacosa-8,14,22-trienyl]carbamimidoyl]pyridine-2-carboxamide;tris((3E,5E,7E,11E,17E,19E,21E,23E,25E,27E)-14,16,30-trihydroxy-3,13,15,31-tetramethyltritriaconta-3,5,7,11,17,19,21,23,25,27-decaene-2,32-dione)

2,2-dimethyl-N-[N'-[(8E,14E,22E)-4,6,10,12,16,18,20,24,26-nonahydroxyoctacosa-8,14,22-trienyl]carbamimidoyl]propanamide;1-hexylidene-2-[(8E,14E,22E)-4,6,10,12,16,18,20,24,26-nonahydroxyoctacosa-8,14,22-trienyl]guanidine;N-[N'-[(8E,14E,22E)-4,6,10,12,16,18,20,24,26-nonahydroxyoctacosa-8,14,22-trienyl]carbamimidoyl]pyridine-2-carboxamide;tris((3E,5E,7E,11E,17E,19E,21E,23E,25E,27E)-14,16,30-trihydroxy-3,13,15,31-tetramethyltritriaconta-3,5,7,11,17,19,21,23,25,27-decaene-2,32-dione) (PubChem CID 158415698) has the molecular formula C215H342N10O44 and a molecular weight of 3771.13 g/mol. Its IUPAC name is 2,2-dimethyl-N-[N'-[(8E,14E,22E)-4,6,10,12,16,18,20,24,26-nonahydroxyoctacosa-8,14,22-trienyl]carbamimidoyl]propanamide;1-hexylidene-2-[(8E,14E,22E)-4,6,10,12,16,18,20,24,26-nonahydroxyoctacosa-8,14,22-trienyl]guanidine;N-[N'-[(8E,14E,22E)-4,6,10,12,16,18,20,24,26-nonahydroxyoctacosa-8,14,22-trienyl]carbamimidoyl]pyridine-2-carboxamide;tris((3E,5E,7E,11E,17E,19E,21E,23E,25E,27E)-14,16,30-trihydroxy-3,13,15,31-tetramethyltritriaconta-3,5,7,11,17,19,21,23,25,27-decaene-2,32-dione).

Molecular Properties

Compound Name2,2-dimethyl-N-[N'-[(8E,14E,22E)-4,6,10,12,16,18,20,24,26-nonahydroxyoctacosa-8,14,22-trienyl]carbamimidoyl]propanamide;1-hexylidene-2-[(8E,14E,22E)-4,6,10,12,16,18,20,24,26-nonahydroxyoctacosa-8,14,22-trienyl]guanidine;N-[N'-[(8E,14E,22E)-4,6,10,12,16,18,20,24,26-nonahydroxyoctacosa-8,14,22-trienyl]carbamimidoyl]pyridine-2-carboxamide;tris((3E,5E,7E,11E,17E,19E,21E,23E,25E,27E)-14,16,30-trihydroxy-3,13,15,31-tetramethyltritriaconta-3,5,7,11,17,19,21,23,25,27-decaene-2,32-dione)
PubChem CID158415698
Molecular FormulaC215H342N10O44
Molecular Weight3771.13 g/mol
Exact Mass3768.48
IUPAC Name2,2-dimethyl-N-[N'-[(8E,14E,22E)-4,6,10,12,16,18,20,24,26-nonahydroxyoctacosa-8,14,22-trienyl]carbamimidoyl]propanamide;1-hexylidene-2-[(8E,14E,22E)-4,6,10,12,16,18,20,24,26-nonahydroxyoctacosa-8,14,22-trienyl]guanidine;N-[N'-[(8E,14E,22E)-4,6,10,12,16,18,20,24,26-nonahydroxyoctacosa-8,14,22-trienyl]carbamimidoyl]pyridine-2-carboxamide;tris((3E,5E,7E,11E,17E,19E,21E,23E,25E,27E)-14,16,30-trihydroxy-3,13,15,31-tetramethyltritriaconta-3,5,7,11,17,19,21,23,25,27-decaene-2,32-dione)
SMILESCC(=O)/C(C)=C/C=C/C=C/CC/C=C/C(C)C(O)C(C)C(O)/C=C/C=C/C=C/C=C/C=C/C=C/CC(O)C(C)C(C)=O.CC(=O)/C(C)=C/C=C/C=C/CC/C=C/C(C)C(O)C(C)C(O)/C=C/C=C/C=C/C=C/C=C/C=C/CC(O)C(C)C(C)=O.CC(=O)/C(C)=C/C=C/C=C/CC/C=C/C(C)C(O)C(C)C(O)/C=C/C=C/C=C/C=C/C=C/C=C/CC(O)C(C)C(C)=O.CCC(O)CC(O)/C=C/CC(O)CC(O)CC(O)/C=C/CC(O)CC(O)/C=C/CC(O)CC(O)CCC/N=C(\N)NC(=O)C(C)(C)C.CCC(O)CC(O)/C=C/CC(O)CC(O)CC(O)/C=C/CC(O)CC(O)/C=C/CC(O)CC(O)CCC/N=C(\N)NC(=O)c1ccccn1.CCCCCC=N/C(N)=N/CCCC(O)CC(O)C/C=C/C(O)CC(O)C/C=C/C(O)CC(O)CC(O)C/C=C/C(O)CC(O)CC
InChIInChI=1S/3C37H52O5.C35H58N4O10.C35H65N3O9.C34H63N3O10/c3*1-29(33(5)38)25-21-17-13-12-14-18-22-26-30(2)37(42)32(4)36(41)28-24-20-16-11-9-7-8-10-15-19-23-27-35(40)31(3)34(6)39;1-2-24(40)19-25(41)9-5-13-29(45)22-32(48)23-30(46)14-7-12-27(43)20-26(42)10-6-11-28(44)21-31(47)15-8-18-38-35(36)39-34(49)33-16-3-4-17-37-33;1-3-5-6-7-19-37-35(36)38-20-11-18-33(46)23-30(43)14-9-13-28(41)22-29(42)15-10-17-32(45)25-34(47)24-31(44)16-8-12-27(40)21-26(39)4-2;1-5-23(38)18-24(39)10-6-14-28(43)21-31(46)22-29(44)15-8-13-26(41)19-25(40)11-7-12-27(42)20-30(45)16-9-17-36-33(35)37-32(47)34(2,3)4/h3*7-13,15-17,19-26,28,30-32,35-37,40-42H,14,18,27H2,1-6H3;3-7,9-10,14,16-17,24-32,40-48H,2,8,11-13,15,18-23H2,1H3,(H3,36,38,39,49);8-10,12-13,17,19,26-34,39-47H,3-7,11,14-16,18,20-25H2,1-2H3,(H2,36,38);6-8,10-11,15,23-31,38-46H,5,9,12-14,16-22H2,1-4H3,(H3,35,36,37,47)/b3*8-7+,11-9+,13-12+,15-10+,20-16+,21-17+,23-19+,26-22+,28-24+,29-25+;9-5+,10-6+,14-7+;12-8+,13-9+,17-10+,37-19?;10-6+,11-7+,15-8+
InChIKeyGZWFJCODXQYGDU-LQVANFSPSA-N
XLogP25.06
TPSA1029.29 Ų
H-Bond Donors41
H-Bond Acceptors48
Rotatable Bonds137
Heavy Atoms269
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003771.13
LogP ≤ 525.06
H-Bond Donors ≤ 541
H-Bond Acceptors ≤ 1048

Analyze 2,2-dimethyl-N-[N'-[(8E,14E,22E)-4,6,10,12,16,18,20,24,26-nonahydroxyoctacosa-8,14,22-trienyl]carbamimidoyl]propanamide;1-hexylidene-2-[(8E,14E,22E)-4,6,10,12,16,18,20,24,26-nonahydroxyoctacosa-8,14,22-trienyl]guanidine;N-[N'-[(8E,14E,22E)-4,6,10,12,16,18,20,24,26-nonahydroxyoctacosa-8,14,22-trienyl]carbamimidoyl]pyridine-2-carboxamide;tris((3E,5E,7E,11E,17E,19E,21E,23E,25E,27E)-14,16,30-trihydroxy-3,13,15,31-tetramethyltritriaconta-3,5,7,11,17,19,21,23,25,27-decaene-2,32-dione) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[N'-[(8E,14E,22E)-4,6,10,12,16,18,20,24,26-nonahydroxyoctacosa-8,14,22-trienyl]carbamimidoyl]propanamide;1-hexylidene-2-[(8E,14E,22E)-4,6,10,12,16,18,20,24,26-nonahydroxyoctacosa-8,14,22-trienyl]guanidine;N-[N'-[(8E,14E,22E)-4,6,10,12,16,18,20,24,26-nonahydroxyoctacosa-8,14,22-trienyl]carbamimidoyl]pyridine-2-carboxamide;tris((3E,5E,7E,11E,17E,19E,21E,23E,25E,27E)-14,16,30-trihydroxy-3,13,15,31-tetramethyltritriaconta-3,5,7,11,17,19,21,23,25,27-decaene-2,32-dione)?
The IUPAC name of 2,2-dimethyl-N-[N'-[(8E,14E,22E)-4,6,10,12,16,18,20,24,26-nonahydroxyoctacosa-8,14,22-trienyl]carbamimidoyl]propanamide;1-hexylidene-2-[(8E,14E,22E)-4,6,10,12,16,18,20,24,26-nonahydroxyoctacosa-8,14,22-trienyl]guanidine;N-[N'-[(8E,14E,22E)-4,6,10,12,16,18,20,24,26-nonahydroxyoctacosa-8,14,22-trienyl]carbamimidoyl]pyridine-2-carboxamide;tris((3E,5E,7E,11E,17E,19E,21E,23E,25E,27E)-14,16,30-trihydroxy-3,13,15,31-tetramethyltritriaconta-3,5,7,11,17,19,21,23,25,27-decaene-2,32-dione) (CID 158415698) is 2,2-dimethyl-N-[N'-[(8E,14E,22E)-4,6,10,12,16,18,20,24,26-nonahydroxyoctacosa-8,14,22-trienyl]carbamimidoyl]propanamide;1-hexylidene-2-[(8E,14E,22E)-4,6,10,12,16,18,20,24,26-nonahydroxyoctacosa-8,14,22-trienyl]guanidine;N-[N'-[(8E,14E,22E)-4,6,10,12,16,18,20,24,26-nonahydroxyoctacosa-8,14,22-trienyl]carbamimidoyl]pyridine-2-carboxamide;tris((3E,5E,7E,11E,17E,19E,21E,23E,25E,27E)-14,16,30-trihydroxy-3,13,15,31-tetramethyltritriaconta-3,5,7,11,17,19,21,23,25,27-decaene-2,32-dione).
What is the SMILES notation for 2,2-dimethyl-N-[N'-[(8E,14E,22E)-4,6,10,12,16,18,20,24,26-nonahydroxyoctacosa-8,14,22-trienyl]carbamimidoyl]propanamide;1-hexylidene-2-[(8E,14E,22E)-4,6,10,12,16,18,20,24,26-nonahydroxyoctacosa-8,14,22-trienyl]guanidine;N-[N'-[(8E,14E,22E)-4,6,10,12,16,18,20,24,26-nonahydroxyoctacosa-8,14,22-trienyl]carbamimidoyl]pyridine-2-carboxamide;tris((3E,5E,7E,11E,17E,19E,21E,23E,25E,27E)-14,16,30-trihydroxy-3,13,15,31-tetramethyltritriaconta-3,5,7,11,17,19,21,23,25,27-decaene-2,32-dione)?
The canonical SMILES for 2,2-dimethyl-N-[N'-[(8E,14E,22E)-4,6,10,12,16,18,20,24,26-nonahydroxyoctacosa-8,14,22-trienyl]carbamimidoyl]propanamide;1-hexylidene-2-[(8E,14E,22E)-4,6,10,12,16,18,20,24,26-nonahydroxyoctacosa-8,14,22-trienyl]guanidine;N-[N'-[(8E,14E,22E)-4,6,10,12,16,18,20,24,26-nonahydroxyoctacosa-8,14,22-trienyl]carbamimidoyl]pyridine-2-carboxamide;tris((3E,5E,7E,11E,17E,19E,21E,23E,25E,27E)-14,16,30-trihydroxy-3,13,15,31-tetramethyltritriaconta-3,5,7,11,17,19,21,23,25,27-decaene-2,32-dione) is CC(=O)/C(C)=C/C=C/C=C/CC/C=C/C(C)C(O)C(C)C(O)/C=C/C=C/C=C/C=C/C=C/C=C/CC(O)C(C)C(C)=O.CC(=O)/C(C)=C/C=C/C=C/CC/C=C/C(C)C(O)C(C)C(O)/C=C/C=C/C=C/C=C/C=C/C=C/CC(O)C(C)C(C)=O.CC(=O)/C(C)=C/C=C/C=C/CC/C=C/C(C)C(O)C(C)C(O)/C=C/C=C/C=C/C=C/C=C/C=C/CC(O)C(C)C(C)=O.CCC(O)CC(O)/C=C/CC(O)CC(O)CC(O)/C=C/CC(O)CC(O)/C=C/CC(O)CC(O)CCC/N=C(\N)NC(=O)C(C)(C)C.CCC(O)CC(O)/C=C/CC(O)CC(O)CC(O)/C=C/CC(O)CC(O)/C=C/CC(O)CC(O)CCC/N=C(\N)NC(=O)c1ccccn1.CCCCCC=N/C(N)=N/CCCC(O)CC(O)C/C=C/C(O)CC(O)C/C=C/C(O)CC(O)CC(O)C/C=C/C(O)CC(O)CC.
What is the InChIKey of 2,2-dimethyl-N-[N'-[(8E,14E,22E)-4,6,10,12,16,18,20,24,26-nonahydroxyoctacosa-8,14,22-trienyl]carbamimidoyl]propanamide;1-hexylidene-2-[(8E,14E,22E)-4,6,10,12,16,18,20,24,26-nonahydroxyoctacosa-8,14,22-trienyl]guanidine;N-[N'-[(8E,14E,22E)-4,6,10,12,16,18,20,24,26-nonahydroxyoctacosa-8,14,22-trienyl]carbamimidoyl]pyridine-2-carboxamide;tris((3E,5E,7E,11E,17E,19E,21E,23E,25E,27E)-14,16,30-trihydroxy-3,13,15,31-tetramethyltritriaconta-3,5,7,11,17,19,21,23,25,27-decaene-2,32-dione)?
The InChIKey is GZWFJCODXQYGDU-LQVANFSPSA-N. The full InChI is InChI=1S/3C37H52O5.C35H58N4O10.C35H65N3O9.C34H63N3O10/c3*1-29(33(5)38)25-21-17-13-12-14-18-22-26-30(2)37(42)32(4)36(41)28-24-20-16-11-9-7-8-10-15-19-23-27-35(40)31(3)34(6)39;1-2-24(40)19-25(41)9-5-13-29(45)22-32(48)23-30(46)14-7-12-27(43)20-26(42)10-6-11-28(44)21-31(47)15-8-18-38-35(36)39-34(49)33-16-3-4-17-37-33;1-3-5-6-7-19-37-35(36)38-20-11-18-33(46)23-30(43)14-9-13-28(41)22-29(42)15-10-17-32(45)25-34(47)24-31(44)16-8-12-27(40)21-26(39)4-2;1-5-23(38)18-24(39)10-6-14-28(43)21-31(46)22-29(44)15-8-13-26(41)19-25(40)11-7-12-27(42)20-30(45)16-9-17-36-33(35)37-32(47)34(2,3)4/h3*7-13,15-17,19-26,28,30-32,35-37,40-42H,14,18,27H2,1-6H3;3-7,9-10,14,16-17,24-32,40-48H,2,8,11-13,15,18-23H2,1H3,(H3,36,38,39,49);8-10,12-13,17,19,26-34,39-47H,3-7,11,14-16,18,20-25H2,1-2H3,(H2,36,38);6-8,10-11,15,23-31,38-46H,5,9,12-14,16-22H2,1-4H3,(H3,35,36,37,47)/b3*8-7+,11-9+,13-12+,15-10+,20-16+,21-17+,23-19+,26-22+,28-24+,29-25+;9-5+,10-6+,14-7+;12-8+,13-9+,17-10+,37-19?;10-6+,11-7+,15-8+.
What are the key properties of 2,2-dimethyl-N-[N'-[(8E,14E,22E)-4,6,10,12,16,18,20,24,26-nonahydroxyoctacosa-8,14,22-trienyl]carbamimidoyl]propanamide;1-hexylidene-2-[(8E,14E,22E)-4,6,10,12,16,18,20,24,26-nonahydroxyoctacosa-8,14,22-trienyl]guanidine;N-[N'-[(8E,14E,22E)-4,6,10,12,16,18,20,24,26-nonahydroxyoctacosa-8,14,22-trienyl]carbamimidoyl]pyridine-2-carboxamide;tris((3E,5E,7E,11E,17E,19E,21E,23E,25E,27E)-14,16,30-trihydroxy-3,13,15,31-tetramethyltritriaconta-3,5,7,11,17,19,21,23,25,27-decaene-2,32-dione)?
2,2-dimethyl-N-[N'-[(8E,14E,22E)-4,6,10,12,16,18,20,24,26-nonahydroxyoctacosa-8,14,22-trienyl]carbamimidoyl]propanamide;1-hexylidene-2-[(8E,14E,22E)-4,6,10,12,16,18,20,24,26-nonahydroxyoctacosa-8,14,22-trienyl]guanidine;N-[N'-[(8E,14E,22E)-4,6,10,12,16,18,20,24,26-nonahydroxyoctacosa-8,14,22-trienyl]carbamimidoyl]pyridine-2-carboxamide;tris((3E,5E,7E,11E,17E,19E,21E,23E,25E,27E)-14,16,30-trihydroxy-3,13,15,31-tetramethyltritriaconta-3,5,7,11,17,19,21,23,25,27-decaene-2,32-dione) has a molecular weight of 3771.13 g/mol, XLogP of 25.06, 137 rotatable bonds, 41 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[N'-[(8E,14E,22E)-4,6,10,12,16,18,20,24,26-nonahydroxyoctacosa-8,14,22-trienyl]carbamimidoyl]propanamide;1-hexylidene-2-[(8E,14E,22E)-4,6,10,12,16,18,20,24,26-nonahydroxyoctacosa-8,14,22-trienyl]guanidine;N-[N'-[(8E,14E,22E)-4,6,10,12,16,18,20,24,26-nonahydroxyoctacosa-8,14,22-trienyl]carbamimidoyl]pyridine-2-carboxamide;tris((3E,5E,7E,11E,17E,19E,21E,23E,25E,27E)-14,16,30-trihydroxy-3,13,15,31-tetramethyltritriaconta-3,5,7,11,17,19,21,23,25,27-decaene-2,32-dione) is sourced from PubChem (CID 158415698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).