N-[(E)-(3-methoxyphenyl)methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide

C19H19N3O3 — CID 5337751

IUPACN-[(E)-(3-methoxyphenyl)methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCOc1cccc(/C=N/NC(=O)c2cccc(N3CCCC3=O)c2)c1
InChIInChI=1S/C19H19N3O3/c1-25-17-8-2-5-14(11-17)13-20-21-19(24)15-6-3-7-16(12-15)22-10-4-9-18(22)23/h2-3,5-8,11-13H,4,9-10H2,1H3,(H,21,24)/b20-13+
InChIKeyLCSZTJWJBVOGTM-DEDYPNTBSA-N
MW337.38 g/mol
LogP2.59
Rot. Bonds5

About N-[(E)-(3-methoxyphenyl)methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide

N-[(E)-(3-methoxyphenyl)methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 5337751) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[(E)-(3-methoxyphenyl)methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[(E)-(3-methoxyphenyl)methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID5337751
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-[(E)-(3-methoxyphenyl)methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCOc1cccc(/C=N/NC(=O)c2cccc(N3CCCC3=O)c2)c1
InChIInChI=1S/C19H19N3O3/c1-25-17-8-2-5-14(11-17)13-20-21-19(24)15-6-3-7-16(12-15)22-10-4-9-18(22)23/h2-3,5-8,11-13H,4,9-10H2,1H3,(H,21,24)/b20-13+
InChIKeyLCSZTJWJBVOGTM-DEDYPNTBSA-N
XLogP2.59
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-Methoxyphenyl)-5-oxo-N'-[-phenylmethylidene]-3-pyrrolidinecarbohydrazide
CID 9591858
4-(2-Oxo-pyrrolidin-1-yl)-benzoic acid (3-methoxy-benzylidene)-hydrazide
CID 6898294
3-(dimethylamino)-N'-(3-furylmethylene)benzohydrazide
CID 6875111
(3Z)-3-{2-[(4-methoxyphenyl)acetyl]hydrazinylidene}-N-methyl-N-phenylbutanamide
CID 6385478
3-Methoxy-N-(4-(pyrrolidin-1-yl)phenyl)benzamide
CID 1121741
2-Methyl-N-(3-{N'-[(E)-(5-methylfuran-2-YL)methylidene]hydrazinecarbonyl}phenyl)benzamide
CID 46496243
N'-(2-hydroxy-5-methoxybenzylidene)-4-(2-oxo-1-pyrrolidinyl)benzohydrazide
CID 135403111
N'-[(1E)-(4-hydroxy-3-methoxyphenyl)methylidene]-4-(2-oxopyrrolidin-1-yl)benzohydrazide
CID 135478328
4-(2-Oxo-pyrrolidin-1-yl)-benzoic acid (4-methoxy-benzylidene)-hydrazide
CID 5331402
4-(2-(2-Furylmethylene)hydrazino)-N-(3-methylphenyl)-4-oxobutanamide
CID 9643503
3-[(3-methoxybenzoyl)amino]-N-(2-methylpropyl)benzamide
CID 763472
3-methoxy-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 1230972

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-methoxyphenyl)methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[(E)-(3-methoxyphenyl)methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide (CID 5337751) is N-[(E)-(3-methoxyphenyl)methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[(E)-(3-methoxyphenyl)methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[(E)-(3-methoxyphenyl)methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide is COc1cccc(/C=N/NC(=O)c2cccc(N3CCCC3=O)c2)c1.
What is the InChIKey of N-[(E)-(3-methoxyphenyl)methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is LCSZTJWJBVOGTM-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-25-17-8-2-5-14(11-17)13-20-21-19(24)15-6-3-7-16(12-15)22-10-4-9-18(22)23/h2-3,5-8,11-13H,4,9-10H2,1H3,(H,21,24)/b20-13+.
What are the key properties of N-[(E)-(3-methoxyphenyl)methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide?
N-[(E)-(3-methoxyphenyl)methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 337.38 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-methoxyphenyl)methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 5337751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).