(Z)-N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-phenylprop-2-enamide

C21H22N2O2 — CID 7547805

IUPAC(Z)-N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-phenylprop-2-enamide
SMILESCc1ccc(N2C[C@H](NC(=O)/C=C\c3ccccc3)CC2=O)cc1C
InChIInChI=1S/C21H22N2O2/c1-15-8-10-19(12-16(15)2)23-14-18(13-21(23)25)22-20(24)11-9-17-6-4-3-5-7-17/h3-12,18H,13-14H2,1-2H3,(H,22,24)/b11-9-/t18-/m1/s1
InChIKeyGSTJUVOIRWUIIB-LECLMCCNSA-N
MW334.42 g/mol
LogP3.24
Rot. Bonds4

About (Z)-N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-phenylprop-2-enamide

(Z)-N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-phenylprop-2-enamide (PubChem CID 7547805) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is (Z)-N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(Z)-N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-phenylprop-2-enamide
PubChem CID7547805
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name(Z)-N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-phenylprop-2-enamide
SMILESCc1ccc(N2C[C@H](NC(=O)/C=C\c3ccccc3)CC2=O)cc1C
InChIInChI=1S/C21H22N2O2/c1-15-8-10-19(12-16(15)2)23-14-18(13-21(23)25)22-20(24)11-9-17-6-4-3-5-7-17/h3-12,18H,13-14H2,1-2H3,(H,22,24)/b11-9-/t18-/m1/s1
InChIKeyGSTJUVOIRWUIIB-LECLMCCNSA-N
XLogP3.24
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-phenylprop-2-enamide
CID 7255727
(E)-N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-phenylprop-2-enamide
CID 178187837
N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-methylbenzamide
CID 7547623
1-benzhydryl-3-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7543330
N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-phenylpropanamide
CID 7255110
N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2,2-dimethylpropanamide
CID 43970862
(E)-N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-phenylprop-2-enamide
CID 95985178
N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]naphthalene-2-carboxamide
CID 7547797
1-(4-anilinophenyl)-3-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 43969649
N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-4-phenylpiperazine-1-carboxamide
CID 43969541
(E)-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 7547320
N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-methoxybenzamide
CID 16822138

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-phenylprop-2-enamide?
The IUPAC name of (Z)-N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-phenylprop-2-enamide (CID 7547805) is (Z)-N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-phenylprop-2-enamide.
What is the SMILES notation for (Z)-N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-phenylprop-2-enamide?
The canonical SMILES for (Z)-N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-phenylprop-2-enamide is Cc1ccc(N2C[C@H](NC(=O)/C=C\c3ccccc3)CC2=O)cc1C.
What is the InChIKey of (Z)-N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-phenylprop-2-enamide?
The InChIKey is GSTJUVOIRWUIIB-LECLMCCNSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-15-8-10-19(12-16(15)2)23-14-18(13-21(23)25)22-20(24)11-9-17-6-4-3-5-7-17/h3-12,18H,13-14H2,1-2H3,(H,22,24)/b11-9-/t18-/m1/s1.
What are the key properties of (Z)-N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-phenylprop-2-enamide?
(Z)-N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-phenylprop-2-enamide has a molecular weight of 334.42 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-phenylprop-2-enamide is sourced from PubChem (CID 7547805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).