4-acetyl-1-methyl-N-[(1R)-2-(methylamino)-2-oxo-1-phenylethyl]pyrrole-2-carboxamide

C17H19N3O3 — CID 94618189

IUPAC4-acetyl-1-methyl-N-[(1R)-2-(methylamino)-2-oxo-1-phenylethyl]pyrrole-2-carboxamide
SMILESCNC(=O)[C@H](NC(=O)c1cc(C(C)=O)cn1C)c1ccccc1
InChIInChI=1S/C17H19N3O3/c1-11(21)13-9-14(20(3)10-13)16(22)19-15(17(23)18-2)12-7-5-4-6-8-12/h4-10,15H,1-3H3,(H,18,23)(H,19,22)/t15-/m1/s1
InChIKeyAZPCHASDUDQPIB-OAHLLOKOSA-N
MW313.36 g/mol
LogP1.44
Rot. Bonds5

About 4-acetyl-1-methyl-N-[(1R)-2-(methylamino)-2-oxo-1-phenylethyl]pyrrole-2-carboxamide

4-acetyl-1-methyl-N-[(1R)-2-(methylamino)-2-oxo-1-phenylethyl]pyrrole-2-carboxamide (PubChem CID 94618189) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 4-acetyl-1-methyl-N-[(1R)-2-(methylamino)-2-oxo-1-phenylethyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-1-methyl-N-[(1R)-2-(methylamino)-2-oxo-1-phenylethyl]pyrrole-2-carboxamide
PubChem CID94618189
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name4-acetyl-1-methyl-N-[(1R)-2-(methylamino)-2-oxo-1-phenylethyl]pyrrole-2-carboxamide
SMILESCNC(=O)[C@H](NC(=O)c1cc(C(C)=O)cn1C)c1ccccc1
InChIInChI=1S/C17H19N3O3/c1-11(21)13-9-14(20(3)10-13)16(22)19-15(17(23)18-2)12-7-5-4-6-8-12/h4-10,15H,1-3H3,(H,18,23)(H,19,22)/t15-/m1/s1
InChIKeyAZPCHASDUDQPIB-OAHLLOKOSA-N
XLogP1.44
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetyl-1-methyl-N-[(S)-phenyl(pyridin-2-yl)methyl]pyrrole-2-carboxamide
CID 94463334
(2R)-2-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]-3-methylbutanoic acid
CID 30064792
(2S)-2-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]-3-hydroxypropanoic acid
CID 61153771
3-bromo-N-[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]benzamide
CID 94157840
4-acetyl-N-[[1-[(S)-hydroxy(phenyl)methyl]cyclopropyl]methyl]-1-methylpyrrole-2-carboxamide
CID 97240530
methyl (2S)-2-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]propanoate
CID 47337732
2-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]-4-hydroxybutanoic acid
CID 61243298
(2S)-2-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]pentanoic acid
CID 93252336
3-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]benzoic acid
CID 43350862
3-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]-3-(4-tert-butylphenyl)propanoic acid
CID 119210017
4-acetyl-1-methylpyrrole-2-carboxylic acid
CID 2764240
N-methyl-2-(methylamino)-2-phenylacetamide
CID 3738076

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-1-methyl-N-[(1R)-2-(methylamino)-2-oxo-1-phenylethyl]pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-1-methyl-N-[(1R)-2-(methylamino)-2-oxo-1-phenylethyl]pyrrole-2-carboxamide (CID 94618189) is 4-acetyl-1-methyl-N-[(1R)-2-(methylamino)-2-oxo-1-phenylethyl]pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-1-methyl-N-[(1R)-2-(methylamino)-2-oxo-1-phenylethyl]pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-1-methyl-N-[(1R)-2-(methylamino)-2-oxo-1-phenylethyl]pyrrole-2-carboxamide is CNC(=O)[C@H](NC(=O)c1cc(C(C)=O)cn1C)c1ccccc1.
What is the InChIKey of 4-acetyl-1-methyl-N-[(1R)-2-(methylamino)-2-oxo-1-phenylethyl]pyrrole-2-carboxamide?
The InChIKey is AZPCHASDUDQPIB-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-11(21)13-9-14(20(3)10-13)16(22)19-15(17(23)18-2)12-7-5-4-6-8-12/h4-10,15H,1-3H3,(H,18,23)(H,19,22)/t15-/m1/s1.
What are the key properties of 4-acetyl-1-methyl-N-[(1R)-2-(methylamino)-2-oxo-1-phenylethyl]pyrrole-2-carboxamide?
4-acetyl-1-methyl-N-[(1R)-2-(methylamino)-2-oxo-1-phenylethyl]pyrrole-2-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-1-methyl-N-[(1R)-2-(methylamino)-2-oxo-1-phenylethyl]pyrrole-2-carboxamide is sourced from PubChem (CID 94618189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).