N-[(E)-(3-methoxyphenyl)methylideneamino]-4-(2-oxopyrrolidin-1-yl)benzamide

C19H19N3O3 — CID 6898294

IUPACN-[(E)-(3-methoxyphenyl)methylideneamino]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCOc1cccc(/C=N/NC(=O)c2ccc(N3CCCC3=O)cc2)c1
InChIInChI=1S/C19H19N3O3/c1-25-17-5-2-4-14(12-17)13-20-21-19(24)15-7-9-16(10-8-15)22-11-3-6-18(22)23/h2,4-5,7-10,12-13H,3,6,11H2,1H3,(H,21,24)/b20-13+
InChIKeyCDRMNEWZJATSPM-DEDYPNTBSA-N
MW337.38 g/mol
LogP2.59
Rot. Bonds5

About N-[(E)-(3-methoxyphenyl)methylideneamino]-4-(2-oxopyrrolidin-1-yl)benzamide

N-[(E)-(3-methoxyphenyl)methylideneamino]-4-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 6898294) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[(E)-(3-methoxyphenyl)methylideneamino]-4-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[(E)-(3-methoxyphenyl)methylideneamino]-4-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID6898294
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-[(E)-(3-methoxyphenyl)methylideneamino]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCOc1cccc(/C=N/NC(=O)c2ccc(N3CCCC3=O)cc2)c1
InChIInChI=1S/C19H19N3O3/c1-25-17-5-2-4-14(12-17)13-20-21-19(24)15-7-9-16(10-8-15)22-11-3-6-18(22)23/h2,4-5,7-10,12-13H,3,6,11H2,1H3,(H,21,24)/b20-13+
InChIKeyCDRMNEWZJATSPM-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

N-[(Z)-(3-bromophenyl)methylideneamino]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 5440401
3-(2-oxopyrrolidin-1-yl)-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide
CID 5331393
4-hydroxy-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide
CID 139088138
N-[(E)-(3-methoxyphenyl)methylideneamino]-1-[4-[[(E)-(3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]piperidine-4-carboxamide
CID 89119428
4-bromo-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide
CID 6907430
N-[(3-methoxyphenyl)methylideneamino]-4-(methylamino)benzamide
CID 75306201
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate
CID 8650975
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[(3-methoxyphenyl)methylideneamino]benzamide
CID 1249248
N-[(3-methoxyphenyl)methylideneamino]-4-nitrobenzamide
CID 931984
4-[(4-fluorobenzoyl)amino]-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide
CID 86809552
N-[(Z)-(3-hydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 5418227
N-(2,5-dimethoxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 17416795

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-methoxyphenyl)methylideneamino]-4-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[(E)-(3-methoxyphenyl)methylideneamino]-4-(2-oxopyrrolidin-1-yl)benzamide (CID 6898294) is N-[(E)-(3-methoxyphenyl)methylideneamino]-4-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[(E)-(3-methoxyphenyl)methylideneamino]-4-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[(E)-(3-methoxyphenyl)methylideneamino]-4-(2-oxopyrrolidin-1-yl)benzamide is COc1cccc(/C=N/NC(=O)c2ccc(N3CCCC3=O)cc2)c1.
What is the InChIKey of N-[(E)-(3-methoxyphenyl)methylideneamino]-4-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is CDRMNEWZJATSPM-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-25-17-5-2-4-14(12-17)13-20-21-19(24)15-7-9-16(10-8-15)22-11-3-6-18(22)23/h2,4-5,7-10,12-13H,3,6,11H2,1H3,(H,21,24)/b20-13+.
What are the key properties of N-[(E)-(3-methoxyphenyl)methylideneamino]-4-(2-oxopyrrolidin-1-yl)benzamide?
N-[(E)-(3-methoxyphenyl)methylideneamino]-4-(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]-4-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 6898294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).