N-[(3R)-3-(benzylamino)cyclohexyl]-N-ethyl-1H-indole-2-carboxamide;N-[(3R)-3-[benzyl(methyl)amino]cyclohexyl]-N-ethyl-1H-indole-2-carboxamide

C49H60N6O2 — CID 161347630

IUPACN-[(3R)-3-(benzylamino)cyclohexyl]-N-ethyl-1H-indole-2-carboxamide;N-[(3R)-3-[benzyl(methyl)amino]cyclohexyl]-N-ethyl-1H-indole-2-carboxamide
SMILESCCN(C(=O)c1cc2ccccc2[nH]1)C1CCC[C@@H](N(C)Cc2ccccc2)C1.CCN(C(=O)c1cc2ccccc2[nH]1)C1CCC[C@@H](NCc2ccccc2)C1
InChIInChI=1S/C25H31N3O.C24H29N3O/c1-3-28(25(29)24-16-20-12-7-8-15-23(20)26-24)22-14-9-13-21(17-22)27(2)18-19-10-5-4-6-11-19;1-2-27(24(28)23-15-19-11-6-7-14-22(19)26-23)21-13-8-12-20(16-21)25-17-18-9-4-3-5-10-18/h4-8,10-12,15-16,21-22,26H,3,9,13-14,17-18H2,1-2H3;3-7,9-11,14-15,20-21,25-26H,2,8,12-13,16-17H2,1H3/t21-,22?;20-,21?/m11/s1
InChIKeyVNNAOETVPMKPOS-WTOOQMGASA-N
MW765.06 g/mol
LogP9.80
Rot. Bonds12

About N-[(3R)-3-(benzylamino)cyclohexyl]-N-ethyl-1H-indole-2-carboxamide;N-[(3R)-3-[benzyl(methyl)amino]cyclohexyl]-N-ethyl-1H-indole-2-carboxamide

N-[(3R)-3-(benzylamino)cyclohexyl]-N-ethyl-1H-indole-2-carboxamide;N-[(3R)-3-[benzyl(methyl)amino]cyclohexyl]-N-ethyl-1H-indole-2-carboxamide (PubChem CID 161347630) has the molecular formula C49H60N6O2 and a molecular weight of 765.06 g/mol. Its IUPAC name is N-[(3R)-3-(benzylamino)cyclohexyl]-N-ethyl-1H-indole-2-carboxamide;N-[(3R)-3-[benzyl(methyl)amino]cyclohexyl]-N-ethyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(3R)-3-(benzylamino)cyclohexyl]-N-ethyl-1H-indole-2-carboxamide;N-[(3R)-3-[benzyl(methyl)amino]cyclohexyl]-N-ethyl-1H-indole-2-carboxamide
PubChem CID161347630
Molecular FormulaC49H60N6O2
Molecular Weight765.06 g/mol
Exact Mass764.48
IUPAC NameN-[(3R)-3-(benzylamino)cyclohexyl]-N-ethyl-1H-indole-2-carboxamide;N-[(3R)-3-[benzyl(methyl)amino]cyclohexyl]-N-ethyl-1H-indole-2-carboxamide
SMILESCCN(C(=O)c1cc2ccccc2[nH]1)C1CCC[C@@H](N(C)Cc2ccccc2)C1.CCN(C(=O)c1cc2ccccc2[nH]1)C1CCC[C@@H](NCc2ccccc2)C1
InChIInChI=1S/C25H31N3O.C24H29N3O/c1-3-28(25(29)24-16-20-12-7-8-15-23(20)26-24)22-14-9-13-21(17-22)27(2)18-19-10-5-4-6-11-19;1-2-27(24(28)23-15-19-11-6-7-14-22(19)26-23)21-13-8-12-20(16-21)25-17-18-9-4-3-5-10-18/h4-8,10-12,15-16,21-22,26H,3,9,13-14,17-18H2,1-2H3;3-7,9-11,14-15,20-21,25-26H,2,8,12-13,16-17H2,1H3/t21-,22?;20-,21?/m11/s1
InChIKeyVNNAOETVPMKPOS-WTOOQMGASA-N
XLogP9.80
TPSA87.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500765.06
LogP ≤ 59.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[(3R)-3-(benzylamino)cyclohexyl]-N-ethyl-1H-indole-2-carboxamide;N-[(3R)-3-[benzyl(methyl)amino]cyclohexyl]-N-ethyl-1H-indole-2-carboxamide with MolForge

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Related Compounds

N-[3-[benzyl(methyl)amino]cyclohexyl]-N-ethyl-1H-indole-2-carboxamide
CID 135171015
N-ethyl-N-[(1S)-3-[(3-fluorophenyl)methylamino]cyclohexyl]-1H-indole-2-carboxamide
CID 135171023
N-ethyl-N-[(1S,3R)-3-[[4-(methyldiazenyl)phenyl]methylamino]cyclohexyl]-1H-indole-2-carboxamide
CID 170113162
N-ethyl-N-[(1S,3R)-3-(pyridin-3-ylmethylamino)cyclohexyl]-1H-indole-2-carboxamide
CID 155076755
N-[(1S,3R)-3-[(4-amino-3-methylphenyl)methylamino]cyclohexyl]-N-ethyl-1H-indole-2-carboxamide
CID 135171020
N-[(5S)-5-(benzylamino)oxan-3-yl]-N-ethyl-1H-indole-2-carboxamide
CID 135171025
N-ethyl-N-[3-[[3-(trifluoromethoxy)phenyl]methylamino]cyclohexyl]-1H-indole-2-carboxamide
CID 135170971
N-ethyl-N-[(1S,3R)-3-[(3-methyl-1,2-oxazol-5-yl)methylamino]cyclohexyl]-1H-indole-2-carboxamide
CID 135170990
N-ethyl-N-[(1S,3R)-3-[[3-(4-ethynylbenzoyl)phenyl]methylamino]cyclohexyl]-1H-indole-2-carboxamide
CID 135156924
N-[(3R)-3-(pyridin-4-ylmethylamino)cyclohexyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide
CID 155076723
N-[(1S,3S)-3-(pyridin-4-ylmethylamino)cyclohexyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide
CID 155076718
N-[(1S,3R)-3-[[4-[2-(3-but-3-ynyldiaziridin-3-yl)ethoxy]phenyl]methylamino]cyclohexyl]-N-ethyl-1H-indole-2-carboxamide
CID 155076800

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-(benzylamino)cyclohexyl]-N-ethyl-1H-indole-2-carboxamide;N-[(3R)-3-[benzyl(methyl)amino]cyclohexyl]-N-ethyl-1H-indole-2-carboxamide?
The IUPAC name of N-[(3R)-3-(benzylamino)cyclohexyl]-N-ethyl-1H-indole-2-carboxamide;N-[(3R)-3-[benzyl(methyl)amino]cyclohexyl]-N-ethyl-1H-indole-2-carboxamide (CID 161347630) is N-[(3R)-3-(benzylamino)cyclohexyl]-N-ethyl-1H-indole-2-carboxamide;N-[(3R)-3-[benzyl(methyl)amino]cyclohexyl]-N-ethyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(3R)-3-(benzylamino)cyclohexyl]-N-ethyl-1H-indole-2-carboxamide;N-[(3R)-3-[benzyl(methyl)amino]cyclohexyl]-N-ethyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[(3R)-3-(benzylamino)cyclohexyl]-N-ethyl-1H-indole-2-carboxamide;N-[(3R)-3-[benzyl(methyl)amino]cyclohexyl]-N-ethyl-1H-indole-2-carboxamide is CCN(C(=O)c1cc2ccccc2[nH]1)C1CCC[C@@H](N(C)Cc2ccccc2)C1.CCN(C(=O)c1cc2ccccc2[nH]1)C1CCC[C@@H](NCc2ccccc2)C1.
What is the InChIKey of N-[(3R)-3-(benzylamino)cyclohexyl]-N-ethyl-1H-indole-2-carboxamide;N-[(3R)-3-[benzyl(methyl)amino]cyclohexyl]-N-ethyl-1H-indole-2-carboxamide?
The InChIKey is VNNAOETVPMKPOS-WTOOQMGASA-N. The full InChI is InChI=1S/C25H31N3O.C24H29N3O/c1-3-28(25(29)24-16-20-12-7-8-15-23(20)26-24)22-14-9-13-21(17-22)27(2)18-19-10-5-4-6-11-19;1-2-27(24(28)23-15-19-11-6-7-14-22(19)26-23)21-13-8-12-20(16-21)25-17-18-9-4-3-5-10-18/h4-8,10-12,15-16,21-22,26H,3,9,13-14,17-18H2,1-2H3;3-7,9-11,14-15,20-21,25-26H,2,8,12-13,16-17H2,1H3/t21-,22?;20-,21?/m11/s1.
What are the key properties of N-[(3R)-3-(benzylamino)cyclohexyl]-N-ethyl-1H-indole-2-carboxamide;N-[(3R)-3-[benzyl(methyl)amino]cyclohexyl]-N-ethyl-1H-indole-2-carboxamide?
N-[(3R)-3-(benzylamino)cyclohexyl]-N-ethyl-1H-indole-2-carboxamide;N-[(3R)-3-[benzyl(methyl)amino]cyclohexyl]-N-ethyl-1H-indole-2-carboxamide has a molecular weight of 765.06 g/mol, XLogP of 9.80, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3-(benzylamino)cyclohexyl]-N-ethyl-1H-indole-2-carboxamide;N-[(3R)-3-[benzyl(methyl)amino]cyclohexyl]-N-ethyl-1H-indole-2-carboxamide is sourced from PubChem (CID 161347630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).