N-[(E)-benzylideneamino]-2-(3,4-dimethoxyphenyl)-2-phenylacetamide

C23H22N2O3 — CID 20843507

IUPACN-[(E)-benzylideneamino]-2-(3,4-dimethoxyphenyl)-2-phenylacetamide
SMILESCOc1ccc(C(C(=O)N/N=C/c2ccccc2)c2ccccc2)cc1OC
InChIInChI=1S/C23H22N2O3/c1-27-20-14-13-19(15-21(20)28-2)22(18-11-7-4-8-12-18)23(26)25-24-16-17-9-5-3-6-10-17/h3-16,22H,1-2H3,(H,25,26)/b24-16+
InChIKeyLPKJIUMPXGABLD-LFVJCYFKSA-N
MW374.44 g/mol
LogP3.99
Rot. Bonds7

About N-[(E)-benzylideneamino]-2-(3,4-dimethoxyphenyl)-2-phenylacetamide

N-[(E)-benzylideneamino]-2-(3,4-dimethoxyphenyl)-2-phenylacetamide (PubChem CID 20843507) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-[(E)-benzylideneamino]-2-(3,4-dimethoxyphenyl)-2-phenylacetamide.

Molecular Properties

Compound NameN-[(E)-benzylideneamino]-2-(3,4-dimethoxyphenyl)-2-phenylacetamide
PubChem CID20843507
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC NameN-[(E)-benzylideneamino]-2-(3,4-dimethoxyphenyl)-2-phenylacetamide
SMILESCOc1ccc(C(C(=O)N/N=C/c2ccccc2)c2ccccc2)cc1OC
InChIInChI=1S/C23H22N2O3/c1-27-20-14-13-19(15-21(20)28-2)22(18-11-7-4-8-12-18)23(26)25-24-16-17-9-5-3-6-10-17/h3-16,22H,1-2H3,(H,25,26)/b24-16+
InChIKeyLPKJIUMPXGABLD-LFVJCYFKSA-N
XLogP3.99
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.99
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-[(3-hydroxy-4-methoxyphenyl)methylideneamino]-2,2-diphenylacetamide
CID 3462683
N-[(E)-(4-methoxyphenyl)methylideneamino]-2,2-diphenylacetamide
CID 6873111
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2,2-diphenylacetamide
CID 135679569
N-[2-[2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide
CID 4234039
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-2-methoxy-2-phenylacetamide
CID 68551605
(2S)-2-[(2,2-diphenylacetyl)amino]-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-methylbutanamide
CID 136720882
N-[(4-bromophenyl)methylideneamino]-2,2-diphenylacetamide
CID 3462678
N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2,2-diphenylacetamide
CID 5499697
[4-[[(2-hydroxy-2-phenylacetyl)hydrazinylidene]methyl]phenyl] 3,4-dimethoxybenzoate
CID 3765420
(2R)-2-anilino-N-[(3,4-dimethoxyphenyl)methylideneamino]butanamide
CID 770506
N-[(E)-(3,5-dibromo-4-methylphenyl)methylideneamino]-2,2-diphenylacetamide
CID 126396553
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-methoxy-2-naphthalen-2-ylacetamide
CID 59185962

Frequently Asked Questions

What is the IUPAC name of N-[(E)-benzylideneamino]-2-(3,4-dimethoxyphenyl)-2-phenylacetamide?
The IUPAC name of N-[(E)-benzylideneamino]-2-(3,4-dimethoxyphenyl)-2-phenylacetamide (CID 20843507) is N-[(E)-benzylideneamino]-2-(3,4-dimethoxyphenyl)-2-phenylacetamide.
What is the SMILES notation for N-[(E)-benzylideneamino]-2-(3,4-dimethoxyphenyl)-2-phenylacetamide?
The canonical SMILES for N-[(E)-benzylideneamino]-2-(3,4-dimethoxyphenyl)-2-phenylacetamide is COc1ccc(C(C(=O)N/N=C/c2ccccc2)c2ccccc2)cc1OC.
What is the InChIKey of N-[(E)-benzylideneamino]-2-(3,4-dimethoxyphenyl)-2-phenylacetamide?
The InChIKey is LPKJIUMPXGABLD-LFVJCYFKSA-N. The full InChI is InChI=1S/C23H22N2O3/c1-27-20-14-13-19(15-21(20)28-2)22(18-11-7-4-8-12-18)23(26)25-24-16-17-9-5-3-6-10-17/h3-16,22H,1-2H3,(H,25,26)/b24-16+.
What are the key properties of N-[(E)-benzylideneamino]-2-(3,4-dimethoxyphenyl)-2-phenylacetamide?
N-[(E)-benzylideneamino]-2-(3,4-dimethoxyphenyl)-2-phenylacetamide has a molecular weight of 374.44 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-benzylideneamino]-2-(3,4-dimethoxyphenyl)-2-phenylacetamide is sourced from PubChem (CID 20843507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).