N-benzhydryl-2-[(2,4-dimethoxyphenyl)methylideneamino]oxyacetamide

C24H24N2O4 — CID 2428169

IUPACN-benzhydryl-2-[(2,4-dimethoxyphenyl)methylideneamino]oxyacetamide
SMILESCOc1ccc(C=NOCC(=O)NC(c2ccccc2)c2ccccc2)c(OC)c1
InChIInChI=1S/C24H24N2O4/c1-28-21-14-13-20(22(15-21)29-2)16-25-30-17-23(27)26-24(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-16,24H,17H2,1-2H3,(H,26,27)
InChIKeyWHJMAVKRZMGXCB-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.96
Rot. Bonds9

About N-benzhydryl-2-[(2,4-dimethoxyphenyl)methylideneamino]oxyacetamide

N-benzhydryl-2-[(2,4-dimethoxyphenyl)methylideneamino]oxyacetamide (PubChem CID 2428169) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-benzhydryl-2-[(2,4-dimethoxyphenyl)methylideneamino]oxyacetamide.

Molecular Properties

Compound NameN-benzhydryl-2-[(2,4-dimethoxyphenyl)methylideneamino]oxyacetamide
PubChem CID2428169
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC NameN-benzhydryl-2-[(2,4-dimethoxyphenyl)methylideneamino]oxyacetamide
SMILESCOc1ccc(C=NOCC(=O)NC(c2ccccc2)c2ccccc2)c(OC)c1
InChIInChI=1S/C24H24N2O4/c1-28-21-14-13-20(22(15-21)29-2)16-25-30-17-23(27)26-24(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-16,24H,17H2,1-2H3,(H,26,27)
InChIKeyWHJMAVKRZMGXCB-UHFFFAOYSA-N
XLogP3.96
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2-[(E)-(2,5-dimethoxyphenyl)methylideneamino]oxy-N-(3,3-diphenylpropyl)acetamide
CID 46615768
2-(2,4-dimethoxyphenyl)-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide
CID 9464338
N-(3,4-dichlorophenyl)-2-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxyacetamide
CID 9355357
N-(2,5-dimethoxyphenyl)-2-[(Z)-(2-methylphenyl)methylideneamino]oxyacetamide
CID 7670070
N-[(2R)-butan-2-yl]-2-[(Z)-(2-methoxyphenyl)methylideneamino]oxyacetamide
CID 7664433
N-(3-chloro-4-methoxyphenyl)-2-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxyacetamide
CID 9355379
N-[(1S)-1-phenylethyl]-2-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]oxyacetamide
CID 7919049
N-[(S)-(4-methoxyphenyl)-phenylmethyl]-2-naphthalen-2-yloxyacetamide
CID 95180836
2-(3-methoxyphenyl)-N-[(4-methoxyphenyl)-phenylmethyl]acetamide
CID 51187291
2-(2-chlorophenoxy)-N-[(2,4-dimethoxyphenyl)methylideneamino]acetamide
CID 958496
N'-benzhydryl-N-(2,4-dimethoxyphenyl)oxamide
CID 44998153
[2-(benzhydrylamino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 2592473

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2-[(2,4-dimethoxyphenyl)methylideneamino]oxyacetamide?
The IUPAC name of N-benzhydryl-2-[(2,4-dimethoxyphenyl)methylideneamino]oxyacetamide (CID 2428169) is N-benzhydryl-2-[(2,4-dimethoxyphenyl)methylideneamino]oxyacetamide.
What is the SMILES notation for N-benzhydryl-2-[(2,4-dimethoxyphenyl)methylideneamino]oxyacetamide?
The canonical SMILES for N-benzhydryl-2-[(2,4-dimethoxyphenyl)methylideneamino]oxyacetamide is COc1ccc(C=NOCC(=O)NC(c2ccccc2)c2ccccc2)c(OC)c1.
What is the InChIKey of N-benzhydryl-2-[(2,4-dimethoxyphenyl)methylideneamino]oxyacetamide?
The InChIKey is WHJMAVKRZMGXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4/c1-28-21-14-13-20(22(15-21)29-2)16-25-30-17-23(27)26-24(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-16,24H,17H2,1-2H3,(H,26,27).
What are the key properties of N-benzhydryl-2-[(2,4-dimethoxyphenyl)methylideneamino]oxyacetamide?
N-benzhydryl-2-[(2,4-dimethoxyphenyl)methylideneamino]oxyacetamide has a molecular weight of 404.47 g/mol, XLogP of 3.96, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2-[(2,4-dimethoxyphenyl)methylideneamino]oxyacetamide is sourced from PubChem (CID 2428169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).