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

C21H22N2O4 — CID 7255727

IUPAC(Z)-N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-phenylprop-2-enamide
SMILESCOc1ccc(N2C[C@@H](NC(=O)/C=C\c3ccccc3)CC2=O)cc1OC
InChIInChI=1S/C21H22N2O4/c1-26-18-10-9-17(13-19(18)27-2)23-14-16(12-21(23)25)22-20(24)11-8-15-6-4-3-5-7-15/h3-11,13,16H,12,14H2,1-2H3,(H,22,24)/b11-8-/t16-/m0/s1
InChIKeySFEMSYVSEUCIJS-CLOOOTJHSA-N
MW366.42 g/mol
LogP2.64
Rot. Bonds6

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

(Z)-N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-phenylprop-2-enamide (PubChem CID 7255727) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is (Z)-N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(Z)-N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-phenylprop-2-enamide
PubChem CID7255727
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name(Z)-N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-phenylprop-2-enamide
SMILESCOc1ccc(N2C[C@@H](NC(=O)/C=C\c3ccccc3)CC2=O)cc1OC
InChIInChI=1S/C21H22N2O4/c1-26-18-10-9-17(13-19(18)27-2)23-14-16(12-21(23)25)22-20(24)11-8-15-6-4-3-5-7-15/h3-11,13,16H,12,14H2,1-2H3,(H,22,24)/b11-8-/t16-/m0/s1
InChIKeySFEMSYVSEUCIJS-CLOOOTJHSA-N
XLogP2.64
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-phenylprop-2-enamide
CID 7547805
(Z)-3-(3,4-dimethoxyphenyl)-N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]prop-2-enamide
CID 7255249
(E)-3-(3,4-dimethoxyphenyl)-N-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]prop-2-enamide
CID 178187305
3-(3,4-dimethoxyphenyl)-N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]prop-2-enamide
CID 71962645
(Z)-N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 7563894
(E)-N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-phenylprop-2-enamide
CID 178187837
(E)-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 7547320
N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3,3-diphenylpropanamide
CID 41152252
(Z)-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(4-nitrophenyl)prop-2-enamide
CID 16822197
(Z)-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(4-nitrophenyl)prop-2-enamide
CID 7255208
N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3,3-dimethylbutanamide
CID 7255696
1-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(2-phenylethyl)urea
CID 18572772

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-phenylprop-2-enamide?
The IUPAC name of (Z)-N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-phenylprop-2-enamide (CID 7255727) is (Z)-N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-phenylprop-2-enamide.
What is the SMILES notation for (Z)-N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-phenylprop-2-enamide?
The canonical SMILES for (Z)-N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-phenylprop-2-enamide is COc1ccc(N2C[C@@H](NC(=O)/C=C\c3ccccc3)CC2=O)cc1OC.
What is the InChIKey of (Z)-N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-phenylprop-2-enamide?
The InChIKey is SFEMSYVSEUCIJS-CLOOOTJHSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-26-18-10-9-17(13-19(18)27-2)23-14-16(12-21(23)25)22-20(24)11-8-15-6-4-3-5-7-15/h3-11,13,16H,12,14H2,1-2H3,(H,22,24)/b11-8-/t16-/m0/s1.
What are the key properties of (Z)-N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-phenylprop-2-enamide?
(Z)-N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-phenylprop-2-enamide has a molecular weight of 366.42 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-phenylprop-2-enamide is sourced from PubChem (CID 7255727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).