4-methoxy-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-prop-2-enylbenzamide

C21H22N2O3 — CID 99948907

IUPAC4-methoxy-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-prop-2-enylbenzamide
SMILESC=CCc1cc(C(=O)Nc2ccc(N3CCCC3=O)cc2)ccc1OC
InChIInChI=1S/C21H22N2O3/c1-3-5-15-14-16(7-12-19(15)26-2)21(25)22-17-8-10-18(11-9-17)23-13-4-6-20(23)24/h3,7-12,14H,1,4-6,13H2,2H3,(H,22,25)
InChIKeySLBLWKXZPSSCQB-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.80
Rot. Bonds6

About 4-methoxy-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-prop-2-enylbenzamide

4-methoxy-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-prop-2-enylbenzamide (PubChem CID 99948907) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 4-methoxy-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-prop-2-enylbenzamide.

Molecular Properties

Compound Name4-methoxy-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-prop-2-enylbenzamide
PubChem CID99948907
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name4-methoxy-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-prop-2-enylbenzamide
SMILESC=CCc1cc(C(=O)Nc2ccc(N3CCCC3=O)cc2)ccc1OC
InChIInChI=1S/C21H22N2O3/c1-3-5-15-14-16(7-12-19(15)26-2)21(25)22-17-8-10-18(11-9-17)23-13-4-6-20(23)24/h3,7-12,14H,1,4-6,13H2,2H3,(H,22,25)
InChIKeySLBLWKXZPSSCQB-UHFFFAOYSA-N
XLogP3.80
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 ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-4-propan-2-yloxybenzamide
CID 51172435
N-(4-methoxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9412020
3,5-dimethoxy-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686372
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-methoxy-3-prop-2-enylbenzamide
CID 21368139
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 18140044
methyl 4-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoate
CID 8747295
3,4,5-trimethoxy-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687225
2-(3,4-dimethoxyphenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 7686452
4-acetamido-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 78788340
3,4-dimethyl-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687280
2-(2-methoxyphenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 8716524
3-ethoxy-4-(2-methylpropoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 8747644

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-prop-2-enylbenzamide?
The IUPAC name of 4-methoxy-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-prop-2-enylbenzamide (CID 99948907) is 4-methoxy-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-prop-2-enylbenzamide.
What is the SMILES notation for 4-methoxy-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-prop-2-enylbenzamide?
The canonical SMILES for 4-methoxy-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-prop-2-enylbenzamide is C=CCc1cc(C(=O)Nc2ccc(N3CCCC3=O)cc2)ccc1OC.
What is the InChIKey of 4-methoxy-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-prop-2-enylbenzamide?
The InChIKey is SLBLWKXZPSSCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-3-5-15-14-16(7-12-19(15)26-2)21(25)22-17-8-10-18(11-9-17)23-13-4-6-20(23)24/h3,7-12,14H,1,4-6,13H2,2H3,(H,22,25).
What are the key properties of 4-methoxy-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-prop-2-enylbenzamide?
4-methoxy-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-prop-2-enylbenzamide has a molecular weight of 350.42 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-prop-2-enylbenzamide is sourced from PubChem (CID 99948907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).