(3S)-3-[benzyl(cyclopropyl)amino]-1-(4-methylphenyl)pyrrolidine-2,5-dione

C21H22N2O2 — CID 51514997

IUPAC(3S)-3-[benzyl(cyclopropyl)amino]-1-(4-methylphenyl)pyrrolidine-2,5-dione
SMILESCc1ccc(N2C(=O)C[C@H](N(Cc3ccccc3)C3CC3)C2=O)cc1
InChIInChI=1S/C21H22N2O2/c1-15-7-9-18(10-8-15)23-20(24)13-19(21(23)25)22(17-11-12-17)14-16-5-3-2-4-6-16/h2-10,17,19H,11-14H2,1H3/t19-/m0/s1
InChIKeyVSOHZFORTMNUJA-IBGZPJMESA-N
MW334.42 g/mol
LogP3.29
Rot. Bonds5

About (3S)-3-[benzyl(cyclopropyl)amino]-1-(4-methylphenyl)pyrrolidine-2,5-dione

(3S)-3-[benzyl(cyclopropyl)amino]-1-(4-methylphenyl)pyrrolidine-2,5-dione (PubChem CID 51514997) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is (3S)-3-[benzyl(cyclopropyl)amino]-1-(4-methylphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-3-[benzyl(cyclopropyl)amino]-1-(4-methylphenyl)pyrrolidine-2,5-dione
PubChem CID51514997
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name(3S)-3-[benzyl(cyclopropyl)amino]-1-(4-methylphenyl)pyrrolidine-2,5-dione
SMILESCc1ccc(N2C(=O)C[C@H](N(Cc3ccccc3)C3CC3)C2=O)cc1
InChIInChI=1S/C21H22N2O2/c1-15-7-9-18(10-8-15)23-20(24)13-19(21(23)25)22(17-11-12-17)14-16-5-3-2-4-6-16/h2-10,17,19H,11-14H2,1H3/t19-/m0/s1
InChIKeyVSOHZFORTMNUJA-IBGZPJMESA-N
XLogP3.29
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide
CID 23915049
N-benzyl-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)acetamide
CID 3710802
(3S)-3-[benzyl(methyl)amino]-1-(4-bromophenyl)pyrrolidine-2,5-dione
CID 1098209
N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-4-methyl-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 23998488
(3R)-3-benzyl-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 6935576
N-benzyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide
CID 23832747
N-cyclopropyl-4-methyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzenesulfonamide
CID 23970823
4-[[cyclopropyl-(2,5-dioxo-1-phenylpyrrolidin-3-yl)amino]methyl]-3-methyloxadiazol-3-ium-5-olate
CID 53291691
N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 23860826
N-cyclopropyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]cyclopropanecarboxamide
CID 23942984
3,3-dimethyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-phenylethyl)butanamide
CID 23743856
3-(benzylamino)-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 2890402

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[benzyl(cyclopropyl)amino]-1-(4-methylphenyl)pyrrolidine-2,5-dione?
The IUPAC name of (3S)-3-[benzyl(cyclopropyl)amino]-1-(4-methylphenyl)pyrrolidine-2,5-dione (CID 51514997) is (3S)-3-[benzyl(cyclopropyl)amino]-1-(4-methylphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-3-[benzyl(cyclopropyl)amino]-1-(4-methylphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-3-[benzyl(cyclopropyl)amino]-1-(4-methylphenyl)pyrrolidine-2,5-dione is Cc1ccc(N2C(=O)C[C@H](N(Cc3ccccc3)C3CC3)C2=O)cc1.
What is the InChIKey of (3S)-3-[benzyl(cyclopropyl)amino]-1-(4-methylphenyl)pyrrolidine-2,5-dione?
The InChIKey is VSOHZFORTMNUJA-IBGZPJMESA-N. The full InChI is InChI=1S/C21H22N2O2/c1-15-7-9-18(10-8-15)23-20(24)13-19(21(23)25)22(17-11-12-17)14-16-5-3-2-4-6-16/h2-10,17,19H,11-14H2,1H3/t19-/m0/s1.
What are the key properties of (3S)-3-[benzyl(cyclopropyl)amino]-1-(4-methylphenyl)pyrrolidine-2,5-dione?
(3S)-3-[benzyl(cyclopropyl)amino]-1-(4-methylphenyl)pyrrolidine-2,5-dione has a molecular weight of 334.42 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[benzyl(cyclopropyl)amino]-1-(4-methylphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 51514997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).