N-(2-adamantyl)-4,6-dimethyl-1H-indole-2-carboxamide;N-[1-(1-adamantyl)ethyl]-1H-indole-2-carboxamide;N-(1-adamantyl)-1H-indole-2-carboxamide;N-(1-adamantylmethyl)-1H-indole-2-carboxamide;N-[(3-chlorophenyl)methyl]-1H-indole-2-carboxamide;N-cyclooctyl-4,6-dimethyl-1H-indole-2-carboxamide;N-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]-1H-indole-2-carboxamide

C135H161ClN14O7 — CID 158197898

IUPACN-(2-adamantyl)-4,6-dimethyl-1H-indole-2-carboxamide;N-[1-(1-adamantyl)ethyl]-1H-indole-2-carboxamide;N-(1-adamantyl)-1H-indole-2-carboxamide;N-(1-adamantylmethyl)-1H-indole-2-carboxamide;N-[(3-chlorophenyl)methyl]-1H-indole-2-carboxamide;N-cyclooctyl-4,6-dimethyl-1H-indole-2-carboxamide;N-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]-1H-indole-2-carboxamide
SMILESCC(NC(=O)c1cc2ccccc2[nH]1)C12CC3CC(CC(C3)C1)C2.C[C@@H]1[C@H]2C[C@@H](C[C@H]1NC(=O)c1cc3ccccc3[nH]1)C2(C)C.Cc1cc(C)c2cc(C(=O)NC3C4CC5CC(C4)CC3C5)[nH]c2c1.Cc1cc(C)c2cc(C(=O)NC3CCCCCCC3)[nH]c2c1.O=C(NC12CC3CC(CC(C3)C1)C2)c1cc2ccccc2[nH]1.O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc2ccccc2[nH]1.O=C(NCc1cccc(Cl)c1)c1cc2ccccc2[nH]1
InChIInChI=1S/2C21H26N2O.C20H24N2O.C19H22N2O.C19H24N2O.C19H26N2O.C16H13ClN2O/c1-11-3-12(2)17-10-19(22-18(17)4-11)21(24)23-20-15-6-13-5-14(8-15)9-16(20)7-13;1-13(21-10-14-6-15(11-21)8-16(7-14)12-21)22-20(24)19-9-17-4-2-3-5-18(17)23-19;23-19(18-8-16-3-1-2-4-17(16)22-18)21-12-20-9-13-5-14(10-20)7-15(6-13)11-20;22-18(17-8-15-3-1-2-4-16(15)20-17)21-19-9-12-5-13(10-19)7-14(6-12)11-19;1-11-14-9-13(19(14,2)3)10-16(11)21-18(22)17-8-12-6-4-5-7-15(12)20-17;1-13-10-14(2)16-12-18(21-17(16)11-13)19(22)20-15-8-6-4-3-5-7-9-15;17-13-6-3-4-11(8-13)10-18-16(20)15-9-12-5-1-2-7-14(12)19-15/h3-4,10,13-16,20,22H,5-9H2,1-2H3,(H,23,24);2-5,9,13-16,23H,6-8,10-12H2,1H3,(H,22,24);1-4,8,13-15,22H,5-7,9-12H2,(H,21,23);1-4,8,12-14,20H,5-7,9-11H2,(H,21,22);4-8,11,13-14,16,20H,9-10H2,1-3H3,(H,21,22);10-12,15,21H,3-9H2,1-2H3,(H,20,22);1-9,19H,10H2,(H,18,20)/t;;;;11-,13+,14-,16-;;/m....1../s1
InChIKeyGAOHEPLFYIYZQJ-MXFUBKPGSA-N
MW2127.32 g/mol
LogP29.17
Rot. Bonds17

About N-(2-adamantyl)-4,6-dimethyl-1H-indole-2-carboxamide;N-[1-(1-adamantyl)ethyl]-1H-indole-2-carboxamide;N-(1-adamantyl)-1H-indole-2-carboxamide;N-(1-adamantylmethyl)-1H-indole-2-carboxamide;N-[(3-chlorophenyl)methyl]-1H-indole-2-carboxamide;N-cyclooctyl-4,6-dimethyl-1H-indole-2-carboxamide;N-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]-1H-indole-2-carboxamide

N-(2-adamantyl)-4,6-dimethyl-1H-indole-2-carboxamide;N-[1-(1-adamantyl)ethyl]-1H-indole-2-carboxamide;N-(1-adamantyl)-1H-indole-2-carboxamide;N-(1-adamantylmethyl)-1H-indole-2-carboxamide;N-[(3-chlorophenyl)methyl]-1H-indole-2-carboxamide;N-cyclooctyl-4,6-dimethyl-1H-indole-2-carboxamide;N-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]-1H-indole-2-carboxamide (PubChem CID 158197898) has the molecular formula C135H161ClN14O7 and a molecular weight of 2127.32 g/mol. Its IUPAC name is N-(2-adamantyl)-4,6-dimethyl-1H-indole-2-carboxamide;N-[1-(1-adamantyl)ethyl]-1H-indole-2-carboxamide;N-(1-adamantyl)-1H-indole-2-carboxamide;N-(1-adamantylmethyl)-1H-indole-2-carboxamide;N-[(3-chlorophenyl)methyl]-1H-indole-2-carboxamide;N-cyclooctyl-4,6-dimethyl-1H-indole-2-carboxamide;N-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(2-adamantyl)-4,6-dimethyl-1H-indole-2-carboxamide;N-[1-(1-adamantyl)ethyl]-1H-indole-2-carboxamide;N-(1-adamantyl)-1H-indole-2-carboxamide;N-(1-adamantylmethyl)-1H-indole-2-carboxamide;N-[(3-chlorophenyl)methyl]-1H-indole-2-carboxamide;N-cyclooctyl-4,6-dimethyl-1H-indole-2-carboxamide;N-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]-1H-indole-2-carboxamide
PubChem CID158197898
Molecular FormulaC135H161ClN14O7
Molecular Weight2127.32 g/mol
Exact Mass2125.24
IUPAC NameN-(2-adamantyl)-4,6-dimethyl-1H-indole-2-carboxamide;N-[1-(1-adamantyl)ethyl]-1H-indole-2-carboxamide;N-(1-adamantyl)-1H-indole-2-carboxamide;N-(1-adamantylmethyl)-1H-indole-2-carboxamide;N-[(3-chlorophenyl)methyl]-1H-indole-2-carboxamide;N-cyclooctyl-4,6-dimethyl-1H-indole-2-carboxamide;N-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]-1H-indole-2-carboxamide
SMILESCC(NC(=O)c1cc2ccccc2[nH]1)C12CC3CC(CC(C3)C1)C2.C[C@@H]1[C@H]2C[C@@H](C[C@H]1NC(=O)c1cc3ccccc3[nH]1)C2(C)C.Cc1cc(C)c2cc(C(=O)NC3C4CC5CC(C4)CC3C5)[nH]c2c1.Cc1cc(C)c2cc(C(=O)NC3CCCCCCC3)[nH]c2c1.O=C(NC12CC3CC(CC(C3)C1)C2)c1cc2ccccc2[nH]1.O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc2ccccc2[nH]1.O=C(NCc1cccc(Cl)c1)c1cc2ccccc2[nH]1
InChIInChI=1S/2C21H26N2O.C20H24N2O.C19H22N2O.C19H24N2O.C19H26N2O.C16H13ClN2O/c1-11-3-12(2)17-10-19(22-18(17)4-11)21(24)23-20-15-6-13-5-14(8-15)9-16(20)7-13;1-13(21-10-14-6-15(11-21)8-16(7-14)12-21)22-20(24)19-9-17-4-2-3-5-18(17)23-19;23-19(18-8-16-3-1-2-4-17(16)22-18)21-12-20-9-13-5-14(10-20)7-15(6-13)11-20;22-18(17-8-15-3-1-2-4-16(15)20-17)21-19-9-12-5-13(10-19)7-14(6-12)11-19;1-11-14-9-13(19(14,2)3)10-16(11)21-18(22)17-8-12-6-4-5-7-15(12)20-17;1-13-10-14(2)16-12-18(21-17(16)11-13)19(22)20-15-8-6-4-3-5-7-9-15;17-13-6-3-4-11(8-13)10-18-16(20)15-9-12-5-1-2-7-14(12)19-15/h3-4,10,13-16,20,22H,5-9H2,1-2H3,(H,23,24);2-5,9,13-16,23H,6-8,10-12H2,1H3,(H,22,24);1-4,8,13-15,22H,5-7,9-12H2,(H,21,23);1-4,8,12-14,20H,5-7,9-11H2,(H,21,22);4-8,11,13-14,16,20H,9-10H2,1-3H3,(H,21,22);10-12,15,21H,3-9H2,1-2H3,(H,20,22);1-9,19H,10H2,(H,18,20)/t;;;;11-,13+,14-,16-;;/m....1../s1
InChIKeyGAOHEPLFYIYZQJ-MXFUBKPGSA-N
XLogP29.17
TPSA314.23 Ų
H-Bond Donors14
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms157
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002127.32
LogP ≤ 529.17
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 107

Analyze N-(2-adamantyl)-4,6-dimethyl-1H-indole-2-carboxamide;N-[1-(1-adamantyl)ethyl]-1H-indole-2-carboxamide;N-(1-adamantyl)-1H-indole-2-carboxamide;N-(1-adamantylmethyl)-1H-indole-2-carboxamide;N-[(3-chlorophenyl)methyl]-1H-indole-2-carboxamide;N-cyclooctyl-4,6-dimethyl-1H-indole-2-carboxamide;N-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]-1H-indole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-4,6-dimethyl-1H-indole-2-carboxamide;N-[1-(1-adamantyl)ethyl]-1H-indole-2-carboxamide;N-(1-adamantyl)-1H-indole-2-carboxamide;N-(1-adamantylmethyl)-1H-indole-2-carboxamide;N-[(3-chlorophenyl)methyl]-1H-indole-2-carboxamide;N-cyclooctyl-4,6-dimethyl-1H-indole-2-carboxamide;N-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]-1H-indole-2-carboxamide?
The IUPAC name of N-(2-adamantyl)-4,6-dimethyl-1H-indole-2-carboxamide;N-[1-(1-adamantyl)ethyl]-1H-indole-2-carboxamide;N-(1-adamantyl)-1H-indole-2-carboxamide;N-(1-adamantylmethyl)-1H-indole-2-carboxamide;N-[(3-chlorophenyl)methyl]-1H-indole-2-carboxamide;N-cyclooctyl-4,6-dimethyl-1H-indole-2-carboxamide;N-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]-1H-indole-2-carboxamide (CID 158197898) is N-(2-adamantyl)-4,6-dimethyl-1H-indole-2-carboxamide;N-[1-(1-adamantyl)ethyl]-1H-indole-2-carboxamide;N-(1-adamantyl)-1H-indole-2-carboxamide;N-(1-adamantylmethyl)-1H-indole-2-carboxamide;N-[(3-chlorophenyl)methyl]-1H-indole-2-carboxamide;N-cyclooctyl-4,6-dimethyl-1H-indole-2-carboxamide;N-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-(2-adamantyl)-4,6-dimethyl-1H-indole-2-carboxamide;N-[1-(1-adamantyl)ethyl]-1H-indole-2-carboxamide;N-(1-adamantyl)-1H-indole-2-carboxamide;N-(1-adamantylmethyl)-1H-indole-2-carboxamide;N-[(3-chlorophenyl)methyl]-1H-indole-2-carboxamide;N-cyclooctyl-4,6-dimethyl-1H-indole-2-carboxamide;N-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-(2-adamantyl)-4,6-dimethyl-1H-indole-2-carboxamide;N-[1-(1-adamantyl)ethyl]-1H-indole-2-carboxamide;N-(1-adamantyl)-1H-indole-2-carboxamide;N-(1-adamantylmethyl)-1H-indole-2-carboxamide;N-[(3-chlorophenyl)methyl]-1H-indole-2-carboxamide;N-cyclooctyl-4,6-dimethyl-1H-indole-2-carboxamide;N-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]-1H-indole-2-carboxamide is CC(NC(=O)c1cc2ccccc2[nH]1)C12CC3CC(CC(C3)C1)C2.C[C@@H]1[C@H]2C[C@@H](C[C@H]1NC(=O)c1cc3ccccc3[nH]1)C2(C)C.Cc1cc(C)c2cc(C(=O)NC3C4CC5CC(C4)CC3C5)[nH]c2c1.Cc1cc(C)c2cc(C(=O)NC3CCCCCCC3)[nH]c2c1.O=C(NC12CC3CC(CC(C3)C1)C2)c1cc2ccccc2[nH]1.O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc2ccccc2[nH]1.O=C(NCc1cccc(Cl)c1)c1cc2ccccc2[nH]1.
What is the InChIKey of N-(2-adamantyl)-4,6-dimethyl-1H-indole-2-carboxamide;N-[1-(1-adamantyl)ethyl]-1H-indole-2-carboxamide;N-(1-adamantyl)-1H-indole-2-carboxamide;N-(1-adamantylmethyl)-1H-indole-2-carboxamide;N-[(3-chlorophenyl)methyl]-1H-indole-2-carboxamide;N-cyclooctyl-4,6-dimethyl-1H-indole-2-carboxamide;N-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]-1H-indole-2-carboxamide?
The InChIKey is GAOHEPLFYIYZQJ-MXFUBKPGSA-N. The full InChI is InChI=1S/2C21H26N2O.C20H24N2O.C19H22N2O.C19H24N2O.C19H26N2O.C16H13ClN2O/c1-11-3-12(2)17-10-19(22-18(17)4-11)21(24)23-20-15-6-13-5-14(8-15)9-16(20)7-13;1-13(21-10-14-6-15(11-21)8-16(7-14)12-21)22-20(24)19-9-17-4-2-3-5-18(17)23-19;23-19(18-8-16-3-1-2-4-17(16)22-18)21-12-20-9-13-5-14(10-20)7-15(6-13)11-20;22-18(17-8-15-3-1-2-4-16(15)20-17)21-19-9-12-5-13(10-19)7-14(6-12)11-19;1-11-14-9-13(19(14,2)3)10-16(11)21-18(22)17-8-12-6-4-5-7-15(12)20-17;1-13-10-14(2)16-12-18(21-17(16)11-13)19(22)20-15-8-6-4-3-5-7-9-15;17-13-6-3-4-11(8-13)10-18-16(20)15-9-12-5-1-2-7-14(12)19-15/h3-4,10,13-16,20,22H,5-9H2,1-2H3,(H,23,24);2-5,9,13-16,23H,6-8,10-12H2,1H3,(H,22,24);1-4,8,13-15,22H,5-7,9-12H2,(H,21,23);1-4,8,12-14,20H,5-7,9-11H2,(H,21,22);4-8,11,13-14,16,20H,9-10H2,1-3H3,(H,21,22);10-12,15,21H,3-9H2,1-2H3,(H,20,22);1-9,19H,10H2,(H,18,20)/t;;;;11-,13+,14-,16-;;/m....1../s1.
What are the key properties of N-(2-adamantyl)-4,6-dimethyl-1H-indole-2-carboxamide;N-[1-(1-adamantyl)ethyl]-1H-indole-2-carboxamide;N-(1-adamantyl)-1H-indole-2-carboxamide;N-(1-adamantylmethyl)-1H-indole-2-carboxamide;N-[(3-chlorophenyl)methyl]-1H-indole-2-carboxamide;N-cyclooctyl-4,6-dimethyl-1H-indole-2-carboxamide;N-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]-1H-indole-2-carboxamide?
N-(2-adamantyl)-4,6-dimethyl-1H-indole-2-carboxamide;N-[1-(1-adamantyl)ethyl]-1H-indole-2-carboxamide;N-(1-adamantyl)-1H-indole-2-carboxamide;N-(1-adamantylmethyl)-1H-indole-2-carboxamide;N-[(3-chlorophenyl)methyl]-1H-indole-2-carboxamide;N-cyclooctyl-4,6-dimethyl-1H-indole-2-carboxamide;N-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]-1H-indole-2-carboxamide has a molecular weight of 2127.32 g/mol, XLogP of 29.17, 17 rotatable bonds, 14 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-4,6-dimethyl-1H-indole-2-carboxamide;N-[1-(1-adamantyl)ethyl]-1H-indole-2-carboxamide;N-(1-adamantyl)-1H-indole-2-carboxamide;N-(1-adamantylmethyl)-1H-indole-2-carboxamide;N-[(3-chlorophenyl)methyl]-1H-indole-2-carboxamide;N-cyclooctyl-4,6-dimethyl-1H-indole-2-carboxamide;N-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 158197898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).