4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1-(2-ethylphenyl)pyrrolidin-2-one

C19H27N3O2 — CID 120805051

IUPAC4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1-(2-ethylphenyl)pyrrolidin-2-one
SMILESCCc1ccccc1N1CC(C(=O)N2CCC(C)(CN)C2)CC1=O
InChIInChI=1S/C19H27N3O2/c1-3-14-6-4-5-7-16(14)22-11-15(10-17(22)23)18(24)21-9-8-19(2,12-20)13-21/h4-7,15H,3,8-13,20H2,1-2H3
InChIKeyOMRUHUFTZJFAFR-UHFFFAOYSA-N
MW329.44 g/mol
LogP1.80
Rot. Bonds4

About 4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1-(2-ethylphenyl)pyrrolidin-2-one

4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1-(2-ethylphenyl)pyrrolidin-2-one (PubChem CID 120805051) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1-(2-ethylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1-(2-ethylphenyl)pyrrolidin-2-one
PubChem CID120805051
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1-(2-ethylphenyl)pyrrolidin-2-one
SMILESCCc1ccccc1N1CC(C(=O)N2CCC(C)(CN)C2)CC1=O
InChIInChI=1S/C19H27N3O2/c1-3-14-6-4-5-7-16(14)22-11-15(10-17(22)23)18(24)21-9-8-19(2,12-20)13-21/h4-7,15H,3,8-13,20H2,1-2H3
InChIKeyOMRUHUFTZJFAFR-UHFFFAOYSA-N
XLogP1.80
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1-(2-ethylphenyl)pyrrolidin-2-one 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-[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119251618
4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1-(2-methoxy-5-methylphenyl)pyrrolidin-2-one
CID 120805881
(4S)-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1-(2-ethylphenyl)pyrrolidin-2-one
CID 35436216
4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1-(4-methylsulfanylphenyl)pyrrolidin-2-one;hydrochloride
CID 120804906
4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1-(9H-fluoren-2-yl)pyrrolidin-2-one
CID 120808303
4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1-ethylpyrrolidin-2-one;hydrochloride
CID 120806642
1-[(3R)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxylic acid
CID 94830827
(4R)-4-[(3S)-3-aminopiperidine-1-carbonyl]-1-(2-ethylphenyl)pyrrolidin-2-one
CID 124628195
1-(2-ethylphenyl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one
CID 119562077
(4S)-1-(2-ethylphenyl)-4-[4-(2-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 9152431
4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1-cyclopentylpyrrolidin-2-one;hydrochloride
CID 120808570
(4S)-1-(2-ethylphenyl)-4-(4-methyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one
CID 97310802

Frequently Asked Questions

What is the IUPAC name of 4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1-(2-ethylphenyl)pyrrolidin-2-one?
The IUPAC name of 4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1-(2-ethylphenyl)pyrrolidin-2-one (CID 120805051) is 4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1-(2-ethylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1-(2-ethylphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1-(2-ethylphenyl)pyrrolidin-2-one is CCc1ccccc1N1CC(C(=O)N2CCC(C)(CN)C2)CC1=O.
What is the InChIKey of 4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1-(2-ethylphenyl)pyrrolidin-2-one?
The InChIKey is OMRUHUFTZJFAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-3-14-6-4-5-7-16(14)22-11-15(10-17(22)23)18(24)21-9-8-19(2,12-20)13-21/h4-7,15H,3,8-13,20H2,1-2H3.
What are the key properties of 4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1-(2-ethylphenyl)pyrrolidin-2-one?
4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1-(2-ethylphenyl)pyrrolidin-2-one has a molecular weight of 329.44 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1-(2-ethylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 120805051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).