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

C25H31N3O — CID 135171015

IUPACN-[3-[benzyl(methyl)amino]cyclohexyl]-N-ethyl-1H-indole-2-carboxamide
SMILESCCN(C(=O)c1cc2ccccc2[nH]1)C1CCCC(N(C)Cc2ccccc2)C1
InChIInChI=1S/C25H31N3O/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/h4-8,10-12,15-16,21-22,26H,3,9,13-14,17-18H2,1-2H3
InChIKeyAUGQCNVIHZRCER-UHFFFAOYSA-N
MW389.54 g/mol
LogP5.07
Rot. Bonds6

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

N-[3-[benzyl(methyl)amino]cyclohexyl]-N-ethyl-1H-indole-2-carboxamide (PubChem CID 135171015) has the molecular formula C25H31N3O and a molecular weight of 389.54 g/mol. Its IUPAC name is N-[3-[benzyl(methyl)amino]cyclohexyl]-N-ethyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[3-[benzyl(methyl)amino]cyclohexyl]-N-ethyl-1H-indole-2-carboxamide
PubChem CID135171015
Molecular FormulaC25H31N3O
Molecular Weight389.54 g/mol
Exact Mass389.25
IUPAC NameN-[3-[benzyl(methyl)amino]cyclohexyl]-N-ethyl-1H-indole-2-carboxamide
SMILESCCN(C(=O)c1cc2ccccc2[nH]1)C1CCCC(N(C)Cc2ccccc2)C1
InChIInChI=1S/C25H31N3O/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/h4-8,10-12,15-16,21-22,26H,3,9,13-14,17-18H2,1-2H3
InChIKeyAUGQCNVIHZRCER-UHFFFAOYSA-N
XLogP5.07
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.54
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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
N-ethyl-N-[(1S)-3-[(3-fluorophenyl)methylamino]cyclohexyl]-1H-indole-2-carboxamide
CID 135171023
N-ethyl-N-[(1S,3R)-3-(pyridin-3-ylmethylamino)cyclohexyl]-1H-indole-2-carboxamide
CID 155076755
N-[(1S)-3-(benzylamino)-3-sulfanylcyclohexyl]-N-ethyl-1H-indole-2-carboxamide
CID 170108839
tert-butyl N-[(1R,3S)-3-[ethyl(1H-indole-2-carbonyl)amino]cyclohexyl]carbamate
CID 135170778
N-ethyl-N-[(1S,3R)-3-[[4-(methyldiazenyl)phenyl]methylamino]cyclohexyl]-1H-indole-2-carboxamide
CID 170113162
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-[3-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]cyclohexyl]-N-ethyl-1H-indole-2-carboxamide
CID 155076790
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

Frequently Asked Questions

What is the IUPAC name of N-[3-[benzyl(methyl)amino]cyclohexyl]-N-ethyl-1H-indole-2-carboxamide?
The IUPAC name of N-[3-[benzyl(methyl)amino]cyclohexyl]-N-ethyl-1H-indole-2-carboxamide (CID 135171015) is N-[3-[benzyl(methyl)amino]cyclohexyl]-N-ethyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[3-[benzyl(methyl)amino]cyclohexyl]-N-ethyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[3-[benzyl(methyl)amino]cyclohexyl]-N-ethyl-1H-indole-2-carboxamide is CCN(C(=O)c1cc2ccccc2[nH]1)C1CCCC(N(C)Cc2ccccc2)C1.
What is the InChIKey of N-[3-[benzyl(methyl)amino]cyclohexyl]-N-ethyl-1H-indole-2-carboxamide?
The InChIKey is AUGQCNVIHZRCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O/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/h4-8,10-12,15-16,21-22,26H,3,9,13-14,17-18H2,1-2H3.
What are the key properties of N-[3-[benzyl(methyl)amino]cyclohexyl]-N-ethyl-1H-indole-2-carboxamide?
N-[3-[benzyl(methyl)amino]cyclohexyl]-N-ethyl-1H-indole-2-carboxamide has a molecular weight of 389.54 g/mol, XLogP of 5.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[benzyl(methyl)amino]cyclohexyl]-N-ethyl-1H-indole-2-carboxamide is sourced from PubChem (CID 135171015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).