1-amino-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide

C17H23N3O — CID 39058421

IUPAC1-amino-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide
SMILESNC1(C(=O)NCCc2c[nH]c3ccccc23)CCCCC1
InChIInChI=1S/C17H23N3O/c18-17(9-4-1-5-10-17)16(21)19-11-8-13-12-20-15-7-3-2-6-14(13)15/h2-3,6-7,12,20H,1,4-5,8-11,18H2,(H,19,21)
InChIKeyAZTQJOWQRYLHIW-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.49
Rot. Bonds4

About 1-amino-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide

1-amino-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide (PubChem CID 39058421) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-amino-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide
PubChem CID39058421
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name1-amino-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide
SMILESNC1(C(=O)NCCc2c[nH]c3ccccc23)CCCCC1
InChIInChI=1S/C17H23N3O/c18-17(9-4-1-5-10-17)16(21)19-11-8-13-12-20-15-7-3-2-6-14(13)15/h2-3,6-7,12,20H,1,4-5,8-11,18H2,(H,19,21)
InChIKeyAZTQJOWQRYLHIW-UHFFFAOYSA-N
XLogP2.49
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119263383
1-amino-N-[3-(1H-indol-3-yl)propyl]cyclopentane-1-carboxamide
CID 119320799
1-amino-N-[3-(1H-indol-3-yl)propyl]cyclopropane-1-carboxamide
CID 119778812
3-amino-N-[2-(1H-indol-3-yl)ethyl]oxolane-3-carboxamide
CID 64893613
1-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 71885829
1-amino-N-[2-(4-methyl-1H-indol-3-yl)ethyl]cyclopentane-1-carboxamide
CID 119318274
1-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]cyclobutane-1-carboxamide
CID 110438229
2-[2-(1H-indol-3-yl)ethylcarbamoyl]cyclohexene-1-carboxylic acid
CID 53270372
1-N'-[2-(dimethylamino)ethyl]-1-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108973434
1-(4-chlorophenyl)-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1-carboxamide
CID 2466291
1-N-[2-(1H-indol-3-yl)ethyl]-1-N'-(3-methylbutyl)cyclopropane-1,1-dicarboxamide
CID 108978254
(1S,6S)-N-[2-(1H-indol-3-yl)ethyl]-3-azabicyclo[4.1.0]heptane-6-carboxamide
CID 98783268

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide (CID 39058421) is 1-amino-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide is NC1(C(=O)NCCc2c[nH]c3ccccc23)CCCCC1.
What is the InChIKey of 1-amino-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide?
The InChIKey is AZTQJOWQRYLHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c18-17(9-4-1-5-10-17)16(21)19-11-8-13-12-20-15-7-3-2-6-14(13)15/h2-3,6-7,12,20H,1,4-5,8-11,18H2,(H,19,21).
What are the key properties of 1-amino-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide?
1-amino-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide has a molecular weight of 285.39 g/mol, XLogP of 2.49, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 39058421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).