1-[2-(methylcarbamoylamino)-2-oxoethyl]-N-phenylpyrrolidine-2-carboxamide

C15H20N4O3 — CID 42948760

IUPAC1-[2-(methylcarbamoylamino)-2-oxoethyl]-N-phenylpyrrolidine-2-carboxamide
SMILESCNC(=O)NC(=O)CN1CCCC1C(=O)Nc1ccccc1
InChIInChI=1S/C15H20N4O3/c1-16-15(22)18-13(20)10-19-9-5-8-12(19)14(21)17-11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3,(H,17,21)(H2,16,18,20,22)
InChIKeyIXFPVDAMMNALKZ-UHFFFAOYSA-N
MW304.35 g/mol
LogP0.55
Rot. Bonds4

About 1-[2-(methylcarbamoylamino)-2-oxoethyl]-N-phenylpyrrolidine-2-carboxamide

1-[2-(methylcarbamoylamino)-2-oxoethyl]-N-phenylpyrrolidine-2-carboxamide (PubChem CID 42948760) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is 1-[2-(methylcarbamoylamino)-2-oxoethyl]-N-phenylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-(methylcarbamoylamino)-2-oxoethyl]-N-phenylpyrrolidine-2-carboxamide
PubChem CID42948760
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Name1-[2-(methylcarbamoylamino)-2-oxoethyl]-N-phenylpyrrolidine-2-carboxamide
SMILESCNC(=O)NC(=O)CN1CCCC1C(=O)Nc1ccccc1
InChIInChI=1S/C15H20N4O3/c1-16-15(22)18-13(20)10-19-9-5-8-12(19)14(21)17-11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3,(H,17,21)(H2,16,18,20,22)
InChIKeyIXFPVDAMMNALKZ-UHFFFAOYSA-N
XLogP0.55
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[2-(2-acetylanilino)-2-oxoethyl]-N-phenylpyrrolidine-2-carboxamide
CID 51725831
1-(2-anilino-2-oxoethyl)piperidine-2-carboxylic acid
CID 43441072
1-(2-anilino-2-oxoethyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 118634244
N-(3,5-dichlorophenyl)-1-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]pyrrolidine-2-carboxamide
CID 46406252
(2S)-1-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-N-phenylpyrrolidine-2-carboxamide
CID 94800274
1-[2-(4-cyanoanilino)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide
CID 61372018
N-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxamide
CID 47027276
N-methyl-1-[2-oxo-2-[(1-phenylcyclopentyl)methylamino]ethyl]pyrrolidine-2-carboxamide
CID 86831653
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(methylcarbamoyl)acetamide
CID 11931369
(2S)-2-(phenylcarbamoyl)pyrrolidine-1-carboxylic acid
CID 69195937
N-phenyl-2-(2-phenylpyrrolidin-1-yl)acetamide
CID 18137699
(2R)-N-(4-methoxyphenyl)-1-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]pyrrolidine-2-carboxamide
CID 124742130

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methylcarbamoylamino)-2-oxoethyl]-N-phenylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-(methylcarbamoylamino)-2-oxoethyl]-N-phenylpyrrolidine-2-carboxamide (CID 42948760) is 1-[2-(methylcarbamoylamino)-2-oxoethyl]-N-phenylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-(methylcarbamoylamino)-2-oxoethyl]-N-phenylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-(methylcarbamoylamino)-2-oxoethyl]-N-phenylpyrrolidine-2-carboxamide is CNC(=O)NC(=O)CN1CCCC1C(=O)Nc1ccccc1.
What is the InChIKey of 1-[2-(methylcarbamoylamino)-2-oxoethyl]-N-phenylpyrrolidine-2-carboxamide?
The InChIKey is IXFPVDAMMNALKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-16-15(22)18-13(20)10-19-9-5-8-12(19)14(21)17-11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3,(H,17,21)(H2,16,18,20,22).
What are the key properties of 1-[2-(methylcarbamoylamino)-2-oxoethyl]-N-phenylpyrrolidine-2-carboxamide?
1-[2-(methylcarbamoylamino)-2-oxoethyl]-N-phenylpyrrolidine-2-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 0.55, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methylcarbamoylamino)-2-oxoethyl]-N-phenylpyrrolidine-2-carboxamide is sourced from PubChem (CID 42948760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).