(2S)-2-amino-N-cyclohexyl-3-(1H-indol-3-yl)-N-methylpropanamide

C18H25N3O — CID 119955571

IUPAC(2S)-2-amino-N-cyclohexyl-3-(1H-indol-3-yl)-N-methylpropanamide
SMILESCN(C(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C1CCCCC1
InChIInChI=1S/C18H25N3O/c1-21(14-7-3-2-4-8-14)18(22)16(19)11-13-12-20-17-10-6-5-9-15(13)17/h5-6,9-10,12,14,16,20H,2-4,7-8,11,19H2,1H3/t16-/m0/s1
InChIKeyGTFYKJWYKYKUIU-INIZCTEOSA-N
MW299.42 g/mol
LogP2.83
Rot. Bonds4

About (2S)-2-amino-N-cyclohexyl-3-(1H-indol-3-yl)-N-methylpropanamide

(2S)-2-amino-N-cyclohexyl-3-(1H-indol-3-yl)-N-methylpropanamide (PubChem CID 119955571) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is (2S)-2-amino-N-cyclohexyl-3-(1H-indol-3-yl)-N-methylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-cyclohexyl-3-(1H-indol-3-yl)-N-methylpropanamide
PubChem CID119955571
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name(2S)-2-amino-N-cyclohexyl-3-(1H-indol-3-yl)-N-methylpropanamide
SMILESCN(C(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C1CCCCC1
InChIInChI=1S/C18H25N3O/c1-21(14-7-3-2-4-8-14)18(22)16(19)11-13-12-20-17-10-6-5-9-15(13)17/h5-6,9-10,12,14,16,20H,2-4,7-8,11,19H2,1H3/t16-/m0/s1
InChIKeyGTFYKJWYKYKUIU-INIZCTEOSA-N
XLogP2.83
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-cyclopropyl-3-(1H-indol-3-yl)-N-methylpropanamide
CID 104910757
(2S)-2-amino-N-(cyclohexylmethyl)-3-(1H-indol-3-yl)-N-methylpropanamide
CID 119956327
(2S)-2-amino-3-(1H-indol-3-yl)-N,N-di(propan-2-yl)propanamide
CID 59904522
(2R)-2-amino-N-(2-hydroxyethyl)-3-(1H-indol-3-yl)-N-methylpropanamide
CID 104910812
2-amino-3-(1H-indol-3-yl)propanoic acid;methylcyclopropane
CID 175493504
(2S)-2-amino-N-(2-cyclopentylethyl)-3-(1H-indol-3-yl)propanamide
CID 119956583
N-cyclopropyl-2-(1H-indol-3-yl)-N-methylacetamide
CID 43421962
(2S)-2-amino-N-cyclopropyl-3-(1H-indol-3-yl)-N-[(4-methylsulfanylphenyl)methyl]propanamide
CID 46985509
(2S)-2-amino-N-hexyl-3-(1H-indol-3-yl)-N-methylpropanamide
CID 58658506
(2S)-2-amino-3-(1H-indol-3-yl)-N',N'-dimethylpropanehydrazide
CID 83020765
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid
CID 6305
(2S)-2-amino-3-(1H-indol-3-yl)(1,2,3-13C3)propanoic acid
CID 162642150

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-cyclohexyl-3-(1H-indol-3-yl)-N-methylpropanamide?
The IUPAC name of (2S)-2-amino-N-cyclohexyl-3-(1H-indol-3-yl)-N-methylpropanamide (CID 119955571) is (2S)-2-amino-N-cyclohexyl-3-(1H-indol-3-yl)-N-methylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-cyclohexyl-3-(1H-indol-3-yl)-N-methylpropanamide?
The canonical SMILES for (2S)-2-amino-N-cyclohexyl-3-(1H-indol-3-yl)-N-methylpropanamide is CN(C(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C1CCCCC1.
What is the InChIKey of (2S)-2-amino-N-cyclohexyl-3-(1H-indol-3-yl)-N-methylpropanamide?
The InChIKey is GTFYKJWYKYKUIU-INIZCTEOSA-N. The full InChI is InChI=1S/C18H25N3O/c1-21(14-7-3-2-4-8-14)18(22)16(19)11-13-12-20-17-10-6-5-9-15(13)17/h5-6,9-10,12,14,16,20H,2-4,7-8,11,19H2,1H3/t16-/m0/s1.
What are the key properties of (2S)-2-amino-N-cyclohexyl-3-(1H-indol-3-yl)-N-methylpropanamide?
(2S)-2-amino-N-cyclohexyl-3-(1H-indol-3-yl)-N-methylpropanamide has a molecular weight of 299.42 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-cyclohexyl-3-(1H-indol-3-yl)-N-methylpropanamide is sourced from PubChem (CID 119955571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).