N-methyl-5-oxo-N-propan-2-yl-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide

C18H26N2O2 — CID 46705245

IUPACN-methyl-5-oxo-N-propan-2-yl-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
SMILESCC(C)c1ccc(N2CC(C(=O)N(C)C(C)C)CC2=O)cc1
InChIInChI=1S/C18H26N2O2/c1-12(2)14-6-8-16(9-7-14)20-11-15(10-17(20)21)18(22)19(5)13(3)4/h6-9,12-13,15H,10-11H2,1-5H3
InChIKeyYVTPQDZNTPFFNU-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.03
Rot. Bonds4

About N-methyl-5-oxo-N-propan-2-yl-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide

N-methyl-5-oxo-N-propan-2-yl-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide (PubChem CID 46705245) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-methyl-5-oxo-N-propan-2-yl-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-5-oxo-N-propan-2-yl-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
PubChem CID46705245
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC NameN-methyl-5-oxo-N-propan-2-yl-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
SMILESCC(C)c1ccc(N2CC(C(=O)N(C)C(C)C)CC2=O)cc1
InChIInChI=1S/C18H26N2O2/c1-12(2)14-6-8-16(9-7-14)20-11-15(10-17(20)21)18(22)19(5)13(3)4/h6-9,12-13,15H,10-11H2,1-5H3
InChIKeyYVTPQDZNTPFFNU-UHFFFAOYSA-N
XLogP3.03
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-methyl-5-oxo-N-propan-2-yl-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-chlorophenyl)-N-methyl-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 87024320
(3S)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxylate
CID 6936682
N-benzyl-5-oxo-N-propan-2-yl-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 113186693
4-[3-(dimethylamino)pyrrolidine-1-carbonyl]-1-(4-propan-2-ylphenyl)pyrrolidin-2-one
CID 42881988
N-methyl-5-oxo-1-(4-propan-2-ylphenyl)-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide
CID 72866826
(3R)-N-(4-methylphenyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 40977067
N-(4-methylphenyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 17201834
(3S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 97124040
(3R)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 97123529
(3S)-5-oxo-1-(4-propan-2-ylphenyl)-N-prop-2-ynylpyrrolidine-3-carboxamide
CID 93018332
(3R)-5-oxo-1-(4-propan-2-ylphenyl)-N-prop-2-ynylpyrrolidine-3-carboxamide
CID 93018331
(3S)-N-(2-ethylsulfonylethyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 97156120

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-oxo-N-propan-2-yl-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-methyl-5-oxo-N-propan-2-yl-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide (CID 46705245) is N-methyl-5-oxo-N-propan-2-yl-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-methyl-5-oxo-N-propan-2-yl-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-methyl-5-oxo-N-propan-2-yl-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide is CC(C)c1ccc(N2CC(C(=O)N(C)C(C)C)CC2=O)cc1.
What is the InChIKey of N-methyl-5-oxo-N-propan-2-yl-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is YVTPQDZNTPFFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-12(2)14-6-8-16(9-7-14)20-11-15(10-17(20)21)18(22)19(5)13(3)4/h6-9,12-13,15H,10-11H2,1-5H3.
What are the key properties of N-methyl-5-oxo-N-propan-2-yl-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
N-methyl-5-oxo-N-propan-2-yl-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-oxo-N-propan-2-yl-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 46705245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).