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

C15H18N4O — CID 76892125

IUPAC2-amino-N-(2-cyanoethyl)-3-(1H-indol-3-yl)-N-methylpropanamide
SMILESCN(CCC#N)C(=O)C(N)Cc1c[nH]c2ccccc12
InChIInChI=1S/C15H18N4O/c1-19(8-4-7-16)15(20)13(17)9-11-10-18-14-6-3-2-5-12(11)14/h2-3,5-6,10,13,18H,4,8-9,17H2,1H3
InChIKeyQRVPUVNXNQGZJQ-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.41
Rot. Bonds5

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

2-amino-N-(2-cyanoethyl)-3-(1H-indol-3-yl)-N-methylpropanamide (PubChem CID 76892125) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 2-amino-N-(2-cyanoethyl)-3-(1H-indol-3-yl)-N-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-(2-cyanoethyl)-3-(1H-indol-3-yl)-N-methylpropanamide
PubChem CID76892125
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name2-amino-N-(2-cyanoethyl)-3-(1H-indol-3-yl)-N-methylpropanamide
SMILESCN(CCC#N)C(=O)C(N)Cc1c[nH]c2ccccc12
InChIInChI=1S/C15H18N4O/c1-19(8-4-7-16)15(20)13(17)9-11-10-18-14-6-3-2-5-12(11)14/h2-3,5-6,10,13,18H,4,8-9,17H2,1H3
InChIKeyQRVPUVNXNQGZJQ-UHFFFAOYSA-N
XLogP1.41
TPSA85.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-(2-hydroxyethyl)-3-(1H-indol-3-yl)-N-methylpropanamide
CID 104910812
(2S)-2-amino-N-hexyl-3-(1H-indol-3-yl)-N-methylpropanamide
CID 58658506
(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-cyclopropyl-3-(1H-indol-3-yl)-N-methylpropanamide
CID 104910757
2-amino-3-(1H-indol-3-yl)propanoic acid;dihydrate
CID 86010535
3-cyano-N-[2-(1H-indol-3-yl)ethyl]-N-methylpropanamide
CID 115174014
(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
(2S)-2-amino-3-(1H-indol-3-yl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]propanamide;dihydrochloride
CID 154902585
(2S)-2-amino-N-cyclohexyl-3-(1H-indol-3-yl)-N-methylpropanamide
CID 119955571

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-cyanoethyl)-3-(1H-indol-3-yl)-N-methylpropanamide?
The IUPAC name of 2-amino-N-(2-cyanoethyl)-3-(1H-indol-3-yl)-N-methylpropanamide (CID 76892125) is 2-amino-N-(2-cyanoethyl)-3-(1H-indol-3-yl)-N-methylpropanamide.
What is the SMILES notation for 2-amino-N-(2-cyanoethyl)-3-(1H-indol-3-yl)-N-methylpropanamide?
The canonical SMILES for 2-amino-N-(2-cyanoethyl)-3-(1H-indol-3-yl)-N-methylpropanamide is CN(CCC#N)C(=O)C(N)Cc1c[nH]c2ccccc12.
What is the InChIKey of 2-amino-N-(2-cyanoethyl)-3-(1H-indol-3-yl)-N-methylpropanamide?
The InChIKey is QRVPUVNXNQGZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-19(8-4-7-16)15(20)13(17)9-11-10-18-14-6-3-2-5-12(11)14/h2-3,5-6,10,13,18H,4,8-9,17H2,1H3.
What are the key properties of 2-amino-N-(2-cyanoethyl)-3-(1H-indol-3-yl)-N-methylpropanamide?
2-amino-N-(2-cyanoethyl)-3-(1H-indol-3-yl)-N-methylpropanamide has a molecular weight of 270.34 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-cyanoethyl)-3-(1H-indol-3-yl)-N-methylpropanamide is sourced from PubChem (CID 76892125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).