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

C19H19N3O3 — CID 5331402

IUPACN-[(E)-(4-methoxyphenyl)methylideneamino]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCOc1ccc(/C=N/NC(=O)c2ccc(N3CCCC3=O)cc2)cc1
InChIInChI=1S/C19H19N3O3/c1-25-17-10-4-14(5-11-17)13-20-21-19(24)15-6-8-16(9-7-15)22-12-2-3-18(22)23/h4-11,13H,2-3,12H2,1H3,(H,21,24)/b20-13+
InChIKeyBJYGPOJUKPHRPP-DEDYPNTBSA-N
MW337.38 g/mol
LogP2.59
Rot. Bonds5

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

N-[(E)-(4-methoxyphenyl)methylideneamino]-4-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 5331402) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[(E)-(4-methoxyphenyl)methylideneamino]-4-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[(E)-(4-methoxyphenyl)methylideneamino]-4-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID5331402
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-[(E)-(4-methoxyphenyl)methylideneamino]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCOc1ccc(/C=N/NC(=O)c2ccc(N3CCCC3=O)cc2)cc1
InChIInChI=1S/C19H19N3O3/c1-25-17-10-4-14(5-11-17)13-20-21-19(24)15-6-8-16(9-7-15)22-12-2-3-18(22)23/h4-11,13H,2-3,12H2,1H3,(H,21,24)/b20-13+
InChIKeyBJYGPOJUKPHRPP-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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-methoxyphenyl)methylideneamino]-4-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[(E)-(4-methoxyphenyl)methylideneamino]-4-(2-oxopyrrolidin-1-yl)benzamide (CID 5331402) is N-[(E)-(4-methoxyphenyl)methylideneamino]-4-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[(E)-(4-methoxyphenyl)methylideneamino]-4-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[(E)-(4-methoxyphenyl)methylideneamino]-4-(2-oxopyrrolidin-1-yl)benzamide is COc1ccc(/C=N/NC(=O)c2ccc(N3CCCC3=O)cc2)cc1.
What is the InChIKey of N-[(E)-(4-methoxyphenyl)methylideneamino]-4-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is BJYGPOJUKPHRPP-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-25-17-10-4-14(5-11-17)13-20-21-19(24)15-6-8-16(9-7-15)22-12-2-3-18(22)23/h4-11,13H,2-3,12H2,1H3,(H,21,24)/b20-13+.
What are the key properties of N-[(E)-(4-methoxyphenyl)methylideneamino]-4-(2-oxopyrrolidin-1-yl)benzamide?
N-[(E)-(4-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)-(4-methoxyphenyl)methylideneamino]-4-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 5331402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).