1-methyl-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]indole-3-carboxamide

C16H21N3O2 — CID 9227848

IUPAC1-methyl-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]indole-3-carboxamide
SMILESCCCNC(=O)[C@H](C)NC(=O)c1cn(C)c2ccccc12
InChIInChI=1S/C16H21N3O2/c1-4-9-17-15(20)11(2)18-16(21)13-10-19(3)14-8-6-5-7-12(13)14/h5-8,10-11H,4,9H2,1-3H3,(H,17,20)(H,18,21)/t11-/m0/s1
InChIKeyHDTWUTZVHZHJKQ-NSHDSACASA-N
MW287.36 g/mol
LogP1.82
Rot. Bonds5

About 1-methyl-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]indole-3-carboxamide

1-methyl-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]indole-3-carboxamide (PubChem CID 9227848) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-methyl-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]indole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]indole-3-carboxamide
PubChem CID9227848
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name1-methyl-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]indole-3-carboxamide
SMILESCCCNC(=O)[C@H](C)NC(=O)c1cn(C)c2ccccc12
InChIInChI=1S/C16H21N3O2/c1-4-9-17-15(20)11(2)18-16(21)13-10-19(3)14-8-6-5-7-12(13)14/h5-8,10-11H,4,9H2,1-3H3,(H,17,20)(H,18,21)/t11-/m0/s1
InChIKeyHDTWUTZVHZHJKQ-NSHDSACASA-N
XLogP1.82
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-2-[(1-methylindole-3-carbonyl)amino]propanoate
CID 47337364
2-(1-methylindol-3-yl)-2-oxo-N-propylacetamide
CID 113207654
N-ethyl-1-methylindole-3-carboxamide
CID 25348690
N-[(2R)-1-hydroxybutan-2-yl]-1-methylindole-3-carboxamide
CID 93033635
2-(1-methylindol-3-yl)-N-propylpent-2-enamide
CID 140983221
2-[[1-oxo-1-(propylamino)propan-2-yl]carbamoyl]benzoic acid
CID 60941467
2-bromo-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 7992853
3-hydroxy-2-[(1-methylindole-3-carbonyl)amino]propanoic acid
CID 43171666
2-methylsulfanyl-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 39964497
methyl (2S)-3-methyl-2-[(1-methylindole-3-carbonyl)amino]butanoate
CID 51681664
N-(3-amino-2-methylpropyl)-1-methylindole-3-carboxamide
CID 115271613
N-[2-(2-fluorophenyl)ethyl]-1-methylindole-3-carboxamide
CID 40718604

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]indole-3-carboxamide?
The IUPAC name of 1-methyl-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]indole-3-carboxamide (CID 9227848) is 1-methyl-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]indole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]indole-3-carboxamide?
The canonical SMILES for 1-methyl-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]indole-3-carboxamide is CCCNC(=O)[C@H](C)NC(=O)c1cn(C)c2ccccc12.
What is the InChIKey of 1-methyl-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]indole-3-carboxamide?
The InChIKey is HDTWUTZVHZHJKQ-NSHDSACASA-N. The full InChI is InChI=1S/C16H21N3O2/c1-4-9-17-15(20)11(2)18-16(21)13-10-19(3)14-8-6-5-7-12(13)14/h5-8,10-11H,4,9H2,1-3H3,(H,17,20)(H,18,21)/t11-/m0/s1.
What are the key properties of 1-methyl-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]indole-3-carboxamide?
1-methyl-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]indole-3-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]indole-3-carboxamide is sourced from PubChem (CID 9227848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).