N-methyl-5-oxo-1-pentan-3-yl-N-(1-phenylethyl)pyrrolidine-3-carboxamide

C19H28N2O2 — CID 112826793

IUPACN-methyl-5-oxo-1-pentan-3-yl-N-(1-phenylethyl)pyrrolidine-3-carboxamide
SMILESCCC(CC)N1CC(C(=O)N(C)C(C)c2ccccc2)CC1=O
InChIInChI=1S/C19H28N2O2/c1-5-17(6-2)21-13-16(12-18(21)22)19(23)20(4)14(3)15-10-8-7-9-11-15/h7-11,14,16-17H,5-6,12-13H2,1-4H3
InChIKeyDVULFQDIMWRKMP-UHFFFAOYSA-N
MW316.44 g/mol
LogP3.24
Rot. Bonds6

About N-methyl-5-oxo-1-pentan-3-yl-N-(1-phenylethyl)pyrrolidine-3-carboxamide

N-methyl-5-oxo-1-pentan-3-yl-N-(1-phenylethyl)pyrrolidine-3-carboxamide (PubChem CID 112826793) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is N-methyl-5-oxo-1-pentan-3-yl-N-(1-phenylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-5-oxo-1-pentan-3-yl-N-(1-phenylethyl)pyrrolidine-3-carboxamide
PubChem CID112826793
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC NameN-methyl-5-oxo-1-pentan-3-yl-N-(1-phenylethyl)pyrrolidine-3-carboxamide
SMILESCCC(CC)N1CC(C(=O)N(C)C(C)c2ccccc2)CC1=O
InChIInChI=1S/C19H28N2O2/c1-5-17(6-2)21-13-16(12-18(21)22)19(23)20(4)14(3)15-10-8-7-9-11-15/h7-11,14,16-17H,5-6,12-13H2,1-4H3
InChIKeyDVULFQDIMWRKMP-UHFFFAOYSA-N
XLogP3.24
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]-N-methyl-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide
CID 112826714
2-[methyl-(5-oxo-1-pentan-3-ylpyrrolidine-3-carbonyl)amino]acetic acid
CID 119346721
(2S)-2-[(5-oxo-1-pentan-3-ylpyrrolidine-3-carbonyl)amino]-2-phenylacetic acid
CID 119372748
N-(2-amino-2-phenylethyl)-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide;hydrochloride
CID 119528091
N-methyl-5-oxo-1-pentan-3-yl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 112826771
5-oxo-1-pentan-3-yl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide
CID 112826837
N-(3-aminopropyl)-N-benzyl-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide;hydrochloride
CID 120649054
2-methyl-2-[methyl-[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]amino]propanoic acid
CID 119200517
1-pentan-3-yl-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 112826915
N-ethyl-5-oxo-1-pentan-3-yl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 112826778
N-[(3,4-difluorophenyl)methyl]-N-methyl-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide
CID 112826789
1-(1-carboxybutan-2-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 168690197

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-oxo-1-pentan-3-yl-N-(1-phenylethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-methyl-5-oxo-1-pentan-3-yl-N-(1-phenylethyl)pyrrolidine-3-carboxamide (CID 112826793) is N-methyl-5-oxo-1-pentan-3-yl-N-(1-phenylethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-methyl-5-oxo-1-pentan-3-yl-N-(1-phenylethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-methyl-5-oxo-1-pentan-3-yl-N-(1-phenylethyl)pyrrolidine-3-carboxamide is CCC(CC)N1CC(C(=O)N(C)C(C)c2ccccc2)CC1=O.
What is the InChIKey of N-methyl-5-oxo-1-pentan-3-yl-N-(1-phenylethyl)pyrrolidine-3-carboxamide?
The InChIKey is DVULFQDIMWRKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-5-17(6-2)21-13-16(12-18(21)22)19(23)20(4)14(3)15-10-8-7-9-11-15/h7-11,14,16-17H,5-6,12-13H2,1-4H3.
What are the key properties of N-methyl-5-oxo-1-pentan-3-yl-N-(1-phenylethyl)pyrrolidine-3-carboxamide?
N-methyl-5-oxo-1-pentan-3-yl-N-(1-phenylethyl)pyrrolidine-3-carboxamide has a molecular weight of 316.44 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-oxo-1-pentan-3-yl-N-(1-phenylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 112826793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).