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

C19H27N3O — CID 119956327

IUPAC(2S)-2-amino-N-(cyclohexylmethyl)-3-(1H-indol-3-yl)-N-methylpropanamide
SMILESCN(CC1CCCCC1)C(=O)[C@@H](N)Cc1c[nH]c2ccccc12
InChIInChI=1S/C19H27N3O/c1-22(13-14-7-3-2-4-8-14)19(23)17(20)11-15-12-21-18-10-6-5-9-16(15)18/h5-6,9-10,12,14,17,21H,2-4,7-8,11,13,20H2,1H3/t17-/m0/s1
InChIKeyDLBHUGKOFCUADK-KRWDZBQOSA-N
MW313.44 g/mol
LogP3.08
Rot. Bonds5

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

(2S)-2-amino-N-(cyclohexylmethyl)-3-(1H-indol-3-yl)-N-methylpropanamide (PubChem CID 119956327) has the molecular formula C19H27N3O and a molecular weight of 313.44 g/mol. Its IUPAC name is (2S)-2-amino-N-(cyclohexylmethyl)-3-(1H-indol-3-yl)-N-methylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(cyclohexylmethyl)-3-(1H-indol-3-yl)-N-methylpropanamide
PubChem CID119956327
Molecular FormulaC19H27N3O
Molecular Weight313.44 g/mol
Exact Mass313.22
IUPAC Name(2S)-2-amino-N-(cyclohexylmethyl)-3-(1H-indol-3-yl)-N-methylpropanamide
SMILESCN(CC1CCCCC1)C(=O)[C@@H](N)Cc1c[nH]c2ccccc12
InChIInChI=1S/C19H27N3O/c1-22(13-14-7-3-2-4-8-14)19(23)17(20)11-15-12-21-18-10-6-5-9-16(15)18/h5-6,9-10,12,14,17,21H,2-4,7-8,11,13,20H2,1H3/t17-/m0/s1
InChIKeyDLBHUGKOFCUADK-KRWDZBQOSA-N
XLogP3.08
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-cyclohexyl-3-(1H-indol-3-yl)-N-methylpropanamide
CID 119955571
(2R)-2-amino-N-cyclopropyl-3-(1H-indol-3-yl)-N-methylpropanamide
CID 104910757
(2R)-2-amino-N-(2-hydroxyethyl)-3-(1H-indol-3-yl)-N-methylpropanamide
CID 104910812
2-amino-N-(2-cyanoethyl)-3-(1H-indol-3-yl)-N-methylpropanamide
CID 76892125
(2S)-2-amino-3-(1H-indol-3-yl)-N,N-di(propan-2-yl)propanamide
CID 59904522
(2S)-2-amino-N-(2-cyclopentylethyl)-3-(1H-indol-3-yl)propanamide
CID 119956583
(2S)-2-amino-N-hexyl-3-(1H-indol-3-yl)-N-methylpropanamide
CID 58658506
2-amino-3-(1H-indol-3-yl)propanoic acid;methylcyclopropane
CID 175493504
3-cyclohexyl-1-(1H-indol-3-ylmethyl)-1-methylurea
CID 110749007
(2S)-2-amino-3-(1H-indol-3-yl)-N',N'-dimethylpropanehydrazide
CID 83020765
(2S)-2-amino-3-(1H-indol-3-yl)(1,2,3-13C3)propanoic acid
CID 162642150
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid
CID 6305

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(cyclohexylmethyl)-3-(1H-indol-3-yl)-N-methylpropanamide?
The IUPAC name of (2S)-2-amino-N-(cyclohexylmethyl)-3-(1H-indol-3-yl)-N-methylpropanamide (CID 119956327) is (2S)-2-amino-N-(cyclohexylmethyl)-3-(1H-indol-3-yl)-N-methylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-(cyclohexylmethyl)-3-(1H-indol-3-yl)-N-methylpropanamide?
The canonical SMILES for (2S)-2-amino-N-(cyclohexylmethyl)-3-(1H-indol-3-yl)-N-methylpropanamide is CN(CC1CCCCC1)C(=O)[C@@H](N)Cc1c[nH]c2ccccc12.
What is the InChIKey of (2S)-2-amino-N-(cyclohexylmethyl)-3-(1H-indol-3-yl)-N-methylpropanamide?
The InChIKey is DLBHUGKOFCUADK-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H27N3O/c1-22(13-14-7-3-2-4-8-14)19(23)17(20)11-15-12-21-18-10-6-5-9-16(15)18/h5-6,9-10,12,14,17,21H,2-4,7-8,11,13,20H2,1H3/t17-/m0/s1.
What are the key properties of (2S)-2-amino-N-(cyclohexylmethyl)-3-(1H-indol-3-yl)-N-methylpropanamide?
(2S)-2-amino-N-(cyclohexylmethyl)-3-(1H-indol-3-yl)-N-methylpropanamide has a molecular weight of 313.44 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(cyclohexylmethyl)-3-(1H-indol-3-yl)-N-methylpropanamide is sourced from PubChem (CID 119956327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).