(2S)-N-(2-methyl-1-benzofuran-7-yl)-2-(2-oxopyrrolidin-1-yl)propanamide

C16H18N2O3 — CID 92555087

IUPAC(2S)-N-(2-methyl-1-benzofuran-7-yl)-2-(2-oxopyrrolidin-1-yl)propanamide
SMILESCc1cc2cccc(NC(=O)[C@H](C)N3CCCC3=O)c2o1
InChIInChI=1S/C16H18N2O3/c1-10-9-12-5-3-6-13(15(12)21-10)17-16(20)11(2)18-8-4-7-14(18)19/h3,5-6,9,11H,4,7-8H2,1-2H3,(H,17,20)/t11-/m0/s1
InChIKeyKLASLNFJQXETCR-NSHDSACASA-N
MW286.33 g/mol
LogP2.69
Rot. Bonds3

About (2S)-N-(2-methyl-1-benzofuran-7-yl)-2-(2-oxopyrrolidin-1-yl)propanamide

(2S)-N-(2-methyl-1-benzofuran-7-yl)-2-(2-oxopyrrolidin-1-yl)propanamide (PubChem CID 92555087) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is (2S)-N-(2-methyl-1-benzofuran-7-yl)-2-(2-oxopyrrolidin-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-(2-methyl-1-benzofuran-7-yl)-2-(2-oxopyrrolidin-1-yl)propanamide
PubChem CID92555087
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name(2S)-N-(2-methyl-1-benzofuran-7-yl)-2-(2-oxopyrrolidin-1-yl)propanamide
SMILESCc1cc2cccc(NC(=O)[C@H](C)N3CCCC3=O)c2o1
InChIInChI=1S/C16H18N2O3/c1-10-9-12-5-3-6-13(15(12)21-10)17-16(20)11(2)18-8-4-7-14(18)19/h3,5-6,9,11H,4,7-8H2,1-2H3,(H,17,20)/t11-/m0/s1
InChIKeyKLASLNFJQXETCR-NSHDSACASA-N
XLogP2.69
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2R)-2-(2-oxopiperidin-1-yl)propanoyl]amino]-N-propan-2-ylbenzamide
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(3S)-3-(dimethylamino)-N-(2-methyl-1-benzofuran-7-yl)pyrrolidine-1-carboxamide
CID 97279098
2-(2-oxopyrrolidin-1-yl)propanehydrazide
CID 13150926
6-cyclobutyl-4-methyl-N-(2-methyl-1-benzofuran-7-yl)-2-oxopyran-3-carboxamide
CID 170511370
N-methyl-3-[2-(2-oxoazepan-1-yl)propanoylamino]benzamide
CID 102553027
(2R)-N-(3-chloro-2-methylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)propanamide
CID 9249760
tert-butyl 4-[2-(2-oxopyrrolidin-1-yl)propanoylamino]benzoate
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2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 24506586
2-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 46616352
N-[4-(2,3-dimethylimidazo[1,2-b][1,2,4]triazin-6-yl)phenyl]-2-(2-oxopyrrolidin-1-yl)propanamide
CID 46981693
3-methyl-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)-2-(2-oxopyrrolidin-1-yl)butanamide
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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-methyl-1-benzofuran-7-yl)-2-(2-oxopyrrolidin-1-yl)propanamide?
The IUPAC name of (2S)-N-(2-methyl-1-benzofuran-7-yl)-2-(2-oxopyrrolidin-1-yl)propanamide (CID 92555087) is (2S)-N-(2-methyl-1-benzofuran-7-yl)-2-(2-oxopyrrolidin-1-yl)propanamide.
What is the SMILES notation for (2S)-N-(2-methyl-1-benzofuran-7-yl)-2-(2-oxopyrrolidin-1-yl)propanamide?
The canonical SMILES for (2S)-N-(2-methyl-1-benzofuran-7-yl)-2-(2-oxopyrrolidin-1-yl)propanamide is Cc1cc2cccc(NC(=O)[C@H](C)N3CCCC3=O)c2o1.
What is the InChIKey of (2S)-N-(2-methyl-1-benzofuran-7-yl)-2-(2-oxopyrrolidin-1-yl)propanamide?
The InChIKey is KLASLNFJQXETCR-NSHDSACASA-N. The full InChI is InChI=1S/C16H18N2O3/c1-10-9-12-5-3-6-13(15(12)21-10)17-16(20)11(2)18-8-4-7-14(18)19/h3,5-6,9,11H,4,7-8H2,1-2H3,(H,17,20)/t11-/m0/s1.
What are the key properties of (2S)-N-(2-methyl-1-benzofuran-7-yl)-2-(2-oxopyrrolidin-1-yl)propanamide?
(2S)-N-(2-methyl-1-benzofuran-7-yl)-2-(2-oxopyrrolidin-1-yl)propanamide has a molecular weight of 286.33 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-methyl-1-benzofuran-7-yl)-2-(2-oxopyrrolidin-1-yl)propanamide is sourced from PubChem (CID 92555087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).