N-cyclohexyl-N-[1-[1-[3-[cyclohexyl(2-methylprop-2-enoyl)amino]-2,5-dihydroxypyrrol-1-yl]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-2,5-dihydroxypyrrol-3-yl]-2-methylprop-2-enamide

C64H40N4O6 — CID 123636524

IUPACN-cyclohexyl-N-[1-[1-[3-[cyclohexyl(2-methylprop-2-enoyl)amino]-2,5-dihydroxypyrrol-1-yl]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-2,5-dihydroxypyrrol-3-yl]-2-methylprop-2-enamide
SMILESC=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C(n1c(O)cc(N(C(=O)C(=C)C)C2CCCCC2)c1O)n1c(O)cc(N(C(=O)C(=C)C)C2CCCCC2)c1O
InChIInChI=1S/C64H40N4O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-44-49-58(67-59(69)50-56(63(67)73)65(61(71)52(2)3)54-45-40-38-41-46-54)68-60(70)51-57(64(68)74)66(62(72)53(4)5)55-47-42-39-43-48-55/h50-51,54-55,69-70,73-74H,1-2,4,38-43,45-48H2,3,5H3
InChIKeyNGXUUAXMAITRJY-UHFFFAOYSA-N
MW961.05 g/mol
LogP10.66
Rot. Bonds8

About N-cyclohexyl-N-[1-[1-[3-[cyclohexyl(2-methylprop-2-enoyl)amino]-2,5-dihydroxypyrrol-1-yl]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-2,5-dihydroxypyrrol-3-yl]-2-methylprop-2-enamide

N-cyclohexyl-N-[1-[1-[3-[cyclohexyl(2-methylprop-2-enoyl)amino]-2,5-dihydroxypyrrol-1-yl]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-2,5-dihydroxypyrrol-3-yl]-2-methylprop-2-enamide (PubChem CID 123636524) has the molecular formula C64H40N4O6 and a molecular weight of 961.05 g/mol. Its IUPAC name is N-cyclohexyl-N-[1-[1-[3-[cyclohexyl(2-methylprop-2-enoyl)amino]-2,5-dihydroxypyrrol-1-yl]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-2,5-dihydroxypyrrol-3-yl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-cyclohexyl-N-[1-[1-[3-[cyclohexyl(2-methylprop-2-enoyl)amino]-2,5-dihydroxypyrrol-1-yl]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-2,5-dihydroxypyrrol-3-yl]-2-methylprop-2-enamide
PubChem CID123636524
Molecular FormulaC64H40N4O6
Molecular Weight961.05 g/mol
Exact Mass960.29
IUPAC NameN-cyclohexyl-N-[1-[1-[3-[cyclohexyl(2-methylprop-2-enoyl)amino]-2,5-dihydroxypyrrol-1-yl]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-2,5-dihydroxypyrrol-3-yl]-2-methylprop-2-enamide
SMILESC=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C(n1c(O)cc(N(C(=O)C(=C)C)C2CCCCC2)c1O)n1c(O)cc(N(C(=O)C(=C)C)C2CCCCC2)c1O
InChIInChI=1S/C64H40N4O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-44-49-58(67-59(69)50-56(63(67)73)65(61(71)52(2)3)54-45-40-38-41-46-54)68-60(70)51-57(64(68)74)66(62(72)53(4)5)55-47-42-39-43-48-55/h50-51,54-55,69-70,73-74H,1-2,4,38-43,45-48H2,3,5H3
InChIKeyNGXUUAXMAITRJY-UHFFFAOYSA-N
XLogP10.66
TPSA131.40 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500961.05
LogP ≤ 510.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-cyclohexyl-N-[1-[1-[3-[cyclohexyl(2-methylprop-2-enoyl)amino]-2,5-dihydroxypyrrol-1-yl]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-2,5-dihydroxypyrrol-3-yl]-2-methylprop-2-enamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-[1-[1-[3-[cyclohexyl(2-methylprop-2-enoyl)amino]-2,5-dihydroxypyrrol-1-yl]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-2,5-dihydroxypyrrol-3-yl]-2-methylprop-2-enamide?
The IUPAC name of N-cyclohexyl-N-[1-[1-[3-[cyclohexyl(2-methylprop-2-enoyl)amino]-2,5-dihydroxypyrrol-1-yl]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-2,5-dihydroxypyrrol-3-yl]-2-methylprop-2-enamide (CID 123636524) is N-cyclohexyl-N-[1-[1-[3-[cyclohexyl(2-methylprop-2-enoyl)amino]-2,5-dihydroxypyrrol-1-yl]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-2,5-dihydroxypyrrol-3-yl]-2-methylprop-2-enamide.
What is the SMILES notation for N-cyclohexyl-N-[1-[1-[3-[cyclohexyl(2-methylprop-2-enoyl)amino]-2,5-dihydroxypyrrol-1-yl]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-2,5-dihydroxypyrrol-3-yl]-2-methylprop-2-enamide?
The canonical SMILES for N-cyclohexyl-N-[1-[1-[3-[cyclohexyl(2-methylprop-2-enoyl)amino]-2,5-dihydroxypyrrol-1-yl]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-2,5-dihydroxypyrrol-3-yl]-2-methylprop-2-enamide is C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C(n1c(O)cc(N(C(=O)C(=C)C)C2CCCCC2)c1O)n1c(O)cc(N(C(=O)C(=C)C)C2CCCCC2)c1O.
What is the InChIKey of N-cyclohexyl-N-[1-[1-[3-[cyclohexyl(2-methylprop-2-enoyl)amino]-2,5-dihydroxypyrrol-1-yl]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-2,5-dihydroxypyrrol-3-yl]-2-methylprop-2-enamide?
The InChIKey is NGXUUAXMAITRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H40N4O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-44-49-58(67-59(69)50-56(63(67)73)65(61(71)52(2)3)54-45-40-38-41-46-54)68-60(70)51-57(64(68)74)66(62(72)53(4)5)55-47-42-39-43-48-55/h50-51,54-55,69-70,73-74H,1-2,4,38-43,45-48H2,3,5H3.
What are the key properties of N-cyclohexyl-N-[1-[1-[3-[cyclohexyl(2-methylprop-2-enoyl)amino]-2,5-dihydroxypyrrol-1-yl]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-2,5-dihydroxypyrrol-3-yl]-2-methylprop-2-enamide?
N-cyclohexyl-N-[1-[1-[3-[cyclohexyl(2-methylprop-2-enoyl)amino]-2,5-dihydroxypyrrol-1-yl]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-2,5-dihydroxypyrrol-3-yl]-2-methylprop-2-enamide has a molecular weight of 961.05 g/mol, XLogP of 10.66, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-[1-[1-[3-[cyclohexyl(2-methylprop-2-enoyl)amino]-2,5-dihydroxypyrrol-1-yl]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-2,5-dihydroxypyrrol-3-yl]-2-methylprop-2-enamide is sourced from PubChem (CID 123636524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).