1-(3,3-dimethylbutanoyl)-N-ethyl-N-methyl-4-(4-methylphenyl)pyrrolidine-3-carboxamide

C21H32N2O2 — CID 42826287

IUPAC1-(3,3-dimethylbutanoyl)-N-ethyl-N-methyl-4-(4-methylphenyl)pyrrolidine-3-carboxamide
SMILESCCN(C)C(=O)C1CN(C(=O)CC(C)(C)C)CC1c1ccc(C)cc1
InChIInChI=1S/C21H32N2O2/c1-7-22(6)20(25)18-14-23(19(24)12-21(3,4)5)13-17(18)16-10-8-15(2)9-11-16/h8-11,17-18H,7,12-14H2,1-6H3
InChIKeyBJGKJTFKTNQXBL-UHFFFAOYSA-N
MW344.50 g/mol
LogP3.45
Rot. Bonds4

About 1-(3,3-dimethylbutanoyl)-N-ethyl-N-methyl-4-(4-methylphenyl)pyrrolidine-3-carboxamide

1-(3,3-dimethylbutanoyl)-N-ethyl-N-methyl-4-(4-methylphenyl)pyrrolidine-3-carboxamide (PubChem CID 42826287) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 1-(3,3-dimethylbutanoyl)-N-ethyl-N-methyl-4-(4-methylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3,3-dimethylbutanoyl)-N-ethyl-N-methyl-4-(4-methylphenyl)pyrrolidine-3-carboxamide
PubChem CID42826287
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC Name1-(3,3-dimethylbutanoyl)-N-ethyl-N-methyl-4-(4-methylphenyl)pyrrolidine-3-carboxamide
SMILESCCN(C)C(=O)C1CN(C(=O)CC(C)(C)C)CC1c1ccc(C)cc1
InChIInChI=1S/C21H32N2O2/c1-7-22(6)20(25)18-14-23(19(24)12-21(3,4)5)13-17(18)16-10-8-15(2)9-11-16/h8-11,17-18H,7,12-14H2,1-6H3
InChIKeyBJGKJTFKTNQXBL-UHFFFAOYSA-N
XLogP3.45
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(3,3-dimethylbutanoyl)-N-ethyl-N-methyl-4-(4-methylphenyl)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

(3S,4R)-1-(3,3-dimethylbutanoyl)-N-ethyl-N-methyl-4-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 93150255
(3S,4S)-1-(3,3-dimethylbutanoyl)-4-phenyl-N-propylpyrrolidine-3-carboxamide
CID 97478867
(3R,4R)-1-(3,3-dimethylbutanoyl)-4-phenyl-N-propan-2-ylpyrrolidine-3-carboxamide
CID 97478866
(3S,4S)-1-(3,3-dimethylbutanoyl)-4-(4-fluorophenyl)-N-(3-methylbutyl)pyrrolidine-3-carboxamide
CID 97479139
3,3-dimethyl-1-[3-phenyl-4-(piperidine-1-carbonyl)pyrrolidin-1-yl]butan-1-one
CID 42825801
(3R,4S)-4-(4-methylphenyl)-1-[methyl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 166254227
1-[(3S,4R)-3-(dimethylamino)-4-(4-methylphenyl)pyrrolidin-1-yl]-2-hydroxyethanone
CID 72929443
1-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-3,3-dimethylbutan-1-one
CID 120744952
1-benzoyl-N-ethyl-N-methyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 42680419
(3S,4R)-N-ethyl-N-methyl-1-(thiophene-2-carbonyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 93149272
1-N-ethyl-3-N-(3-methylbutyl)-4-(4-methylphenyl)pyrrolidine-1,3-dicarboxamide
CID 42826351
(3S,4R)-3-(dimethylamino)-N-ethyl-4-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 70761953

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbutanoyl)-N-ethyl-N-methyl-4-(4-methylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(3,3-dimethylbutanoyl)-N-ethyl-N-methyl-4-(4-methylphenyl)pyrrolidine-3-carboxamide (CID 42826287) is 1-(3,3-dimethylbutanoyl)-N-ethyl-N-methyl-4-(4-methylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3,3-dimethylbutanoyl)-N-ethyl-N-methyl-4-(4-methylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3,3-dimethylbutanoyl)-N-ethyl-N-methyl-4-(4-methylphenyl)pyrrolidine-3-carboxamide is CCN(C)C(=O)C1CN(C(=O)CC(C)(C)C)CC1c1ccc(C)cc1.
What is the InChIKey of 1-(3,3-dimethylbutanoyl)-N-ethyl-N-methyl-4-(4-methylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is BJGKJTFKTNQXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-7-22(6)20(25)18-14-23(19(24)12-21(3,4)5)13-17(18)16-10-8-15(2)9-11-16/h8-11,17-18H,7,12-14H2,1-6H3.
What are the key properties of 1-(3,3-dimethylbutanoyl)-N-ethyl-N-methyl-4-(4-methylphenyl)pyrrolidine-3-carboxamide?
1-(3,3-dimethylbutanoyl)-N-ethyl-N-methyl-4-(4-methylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 344.50 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbutanoyl)-N-ethyl-N-methyl-4-(4-methylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 42826287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).