(E)-3-(2-methoxyphenyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]prop-2-enamide

C21H22N2O3 — CID 39004101

IUPAC(E)-3-(2-methoxyphenyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]prop-2-enamide
SMILESCOc1ccccc1/C=C/C(=O)NCc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C21H22N2O3/c1-26-19-9-3-2-7-17(19)11-12-20(24)22-15-16-6-4-8-18(14-16)23-13-5-10-21(23)25/h2-4,6-9,11-12,14H,5,10,13,15H2,1H3,(H,22,24)/b12-11+
InChIKeyCUTNRCRIZKSTAW-VAWYXSNFSA-N
MW350.42 g/mol
LogP3.15
Rot. Bonds6

About (E)-3-(2-methoxyphenyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]prop-2-enamide

(E)-3-(2-methoxyphenyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]prop-2-enamide (PubChem CID 39004101) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is (E)-3-(2-methoxyphenyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-methoxyphenyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]prop-2-enamide
PubChem CID39004101
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name(E)-3-(2-methoxyphenyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]prop-2-enamide
SMILESCOc1ccccc1/C=C/C(=O)NCc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C21H22N2O3/c1-26-19-9-3-2-7-17(19)11-12-20(24)22-15-16-6-4-8-18(14-16)23-13-5-10-21(23)25/h2-4,6-9,11-12,14H,5,10,13,15H2,1H3,(H,22,24)/b12-11+
InChIKeyCUTNRCRIZKSTAW-VAWYXSNFSA-N
XLogP3.15
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]prop-2-enamide
CID 39002604
(E)-N-[(3-methoxyphenyl)methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 26050554
N-benzyl-3-(2-methoxyphenyl)prop-2-enamide
CID 2927846
(E)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 51317965
3-(4-methoxy-3-methylphenyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide
CID 100526543
(E)-N-[(6-methoxynaphthalen-2-yl)methyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 46524786
3,3-dimethyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
CID 39004153
4-amino-3-methoxy-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide;hydrochloride
CID 120588846
1-(2,4-dimethoxyphenyl)-3-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]thiourea
CID 100709852
N-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 4797449
1-[(3,4-dimethoxyphenyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 38169678
1-[3-(ethylaminomethyl)phenyl]pyrrolidin-2-one
CID 63272633

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-methoxyphenyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]prop-2-enamide?
The IUPAC name of (E)-3-(2-methoxyphenyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]prop-2-enamide (CID 39004101) is (E)-3-(2-methoxyphenyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2-methoxyphenyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2-methoxyphenyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]prop-2-enamide is COc1ccccc1/C=C/C(=O)NCc1cccc(N2CCCC2=O)c1.
What is the InChIKey of (E)-3-(2-methoxyphenyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]prop-2-enamide?
The InChIKey is CUTNRCRIZKSTAW-VAWYXSNFSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-26-19-9-3-2-7-17(19)11-12-20(24)22-15-16-6-4-8-18(14-16)23-13-5-10-21(23)25/h2-4,6-9,11-12,14H,5,10,13,15H2,1H3,(H,22,24)/b12-11+.
What are the key properties of (E)-3-(2-methoxyphenyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]prop-2-enamide?
(E)-3-(2-methoxyphenyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]prop-2-enamide has a molecular weight of 350.42 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-methoxyphenyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]prop-2-enamide is sourced from PubChem (CID 39004101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).