N-(benzhydrylideneamino)-2-(2,6-dimethoxy-4-methylphenoxy)acetamide

C24H24N2O4 — CID 7695561

IUPACN-(benzhydrylideneamino)-2-(2,6-dimethoxy-4-methylphenoxy)acetamide
SMILESCOc1cc(C)cc(OC)c1OCC(=O)NN=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H24N2O4/c1-17-14-20(28-2)24(21(15-17)29-3)30-16-22(27)25-26-23(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-15H,16H2,1-3H3,(H,25,27)
InChIKeyISBPBWWENAXQCX-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.96
Rot. Bonds8

About N-(benzhydrylideneamino)-2-(2,6-dimethoxy-4-methylphenoxy)acetamide

N-(benzhydrylideneamino)-2-(2,6-dimethoxy-4-methylphenoxy)acetamide (PubChem CID 7695561) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-(benzhydrylideneamino)-2-(2,6-dimethoxy-4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(benzhydrylideneamino)-2-(2,6-dimethoxy-4-methylphenoxy)acetamide
PubChem CID7695561
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC NameN-(benzhydrylideneamino)-2-(2,6-dimethoxy-4-methylphenoxy)acetamide
SMILESCOc1cc(C)cc(OC)c1OCC(=O)NN=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H24N2O4/c1-17-14-20(28-2)24(21(15-17)29-3)30-16-22(27)25-26-23(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-15H,16H2,1-3H3,(H,25,27)
InChIKeyISBPBWWENAXQCX-UHFFFAOYSA-N
XLogP3.96
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
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-(4-acetyl-2-methoxyphenoxy)-N-(benzhydrylideneamino)acetamide
CID 7695777
methyl 2-[2-(2-benzhydrylidenehydrazinyl)-2-oxoethoxy]-4-methoxybenzoate
CID 7705020
2-(2,6-dimethoxy-4-methylphenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 7695512
2-(2,6-dimethoxy-4-methylphenoxy)-N-(3,3-diphenylpropyl)acetamide
CID 7695606
2-(2,5-dimethylphenoxy)-N-(1-phenylbutylideneamino)acetamide
CID 3304000
2-[2-(2-benzhydrylidenehydrazinyl)-2-oxoethoxy]benzamide
CID 7642098
2-(2,5-dimethylphenoxy)-N-(1-phenylethylideneamino)acetamide
CID 958391
N-[(Z)-(2-methoxyphenyl)methylideneamino]-2-(2,4,6-trimethylphenoxy)acetamide
CID 5407844
2-(2,5-dimethylphenoxy)-N-[1-(3,4,5-trimethoxyphenyl)ethylideneamino]acetamide
CID 5015848
2-(2,5-dimethylphenoxy)-N-[(E)-1-(3,4,5-trimethoxyphenyl)ethylideneamino]acetamide
CID 55353088
N-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 5419932
methyl N-[2-(2-benzhydrylidenehydrazinyl)-2-oxoethyl]carbamate
CID 60527308

Frequently Asked Questions

What is the IUPAC name of N-(benzhydrylideneamino)-2-(2,6-dimethoxy-4-methylphenoxy)acetamide?
The IUPAC name of N-(benzhydrylideneamino)-2-(2,6-dimethoxy-4-methylphenoxy)acetamide (CID 7695561) is N-(benzhydrylideneamino)-2-(2,6-dimethoxy-4-methylphenoxy)acetamide.
What is the SMILES notation for N-(benzhydrylideneamino)-2-(2,6-dimethoxy-4-methylphenoxy)acetamide?
The canonical SMILES for N-(benzhydrylideneamino)-2-(2,6-dimethoxy-4-methylphenoxy)acetamide is COc1cc(C)cc(OC)c1OCC(=O)NN=C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(benzhydrylideneamino)-2-(2,6-dimethoxy-4-methylphenoxy)acetamide?
The InChIKey is ISBPBWWENAXQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4/c1-17-14-20(28-2)24(21(15-17)29-3)30-16-22(27)25-26-23(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-15H,16H2,1-3H3,(H,25,27).
What are the key properties of N-(benzhydrylideneamino)-2-(2,6-dimethoxy-4-methylphenoxy)acetamide?
N-(benzhydrylideneamino)-2-(2,6-dimethoxy-4-methylphenoxy)acetamide has a molecular weight of 404.47 g/mol, XLogP of 3.96, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzhydrylideneamino)-2-(2,6-dimethoxy-4-methylphenoxy)acetamide is sourced from PubChem (CID 7695561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).