2-(4-acetyl-2-methoxyphenoxy)-N-(benzhydrylideneamino)acetamide

C24H22N2O4 — CID 7695777

IUPAC2-(4-acetyl-2-methoxyphenoxy)-N-(benzhydrylideneamino)acetamide
SMILESCOc1cc(C(C)=O)ccc1OCC(=O)NN=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H22N2O4/c1-17(27)20-13-14-21(22(15-20)29-2)30-16-23(28)25-26-24(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-15H,16H2,1-2H3,(H,25,28)
InChIKeyQSSPXCYYYQWIRK-UHFFFAOYSA-N
MW402.45 g/mol
LogP3.85
Rot. Bonds8

About 2-(4-acetyl-2-methoxyphenoxy)-N-(benzhydrylideneamino)acetamide

2-(4-acetyl-2-methoxyphenoxy)-N-(benzhydrylideneamino)acetamide (PubChem CID 7695777) has the molecular formula C24H22N2O4 and a molecular weight of 402.45 g/mol. Its IUPAC name is 2-(4-acetyl-2-methoxyphenoxy)-N-(benzhydrylideneamino)acetamide.

Molecular Properties

Compound Name2-(4-acetyl-2-methoxyphenoxy)-N-(benzhydrylideneamino)acetamide
PubChem CID7695777
Molecular FormulaC24H22N2O4
Molecular Weight402.45 g/mol
Exact Mass402.16
IUPAC Name2-(4-acetyl-2-methoxyphenoxy)-N-(benzhydrylideneamino)acetamide
SMILESCOc1cc(C(C)=O)ccc1OCC(=O)NN=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H22N2O4/c1-17(27)20-13-14-21(22(15-20)29-2)30-16-23(28)25-26-24(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-15H,16H2,1-2H3,(H,25,28)
InChIKeyQSSPXCYYYQWIRK-UHFFFAOYSA-N
XLogP3.85
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.85
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

N-(benzhydrylideneamino)-2-(2,6-dimethoxy-4-methylphenoxy)acetamide
CID 7695561
2-(4-acetyl-2-methoxyphenoxy)-1-phenylethanone
CID 60627046
methyl 2-[2-(2-benzhydrylidenehydrazinyl)-2-oxoethoxy]-4-methoxybenzoate
CID 7705020
2-(4-bromo-2-methoxyphenoxy)-N-[1-(4-phenylphenyl)ethylideneamino]acetamide
CID 3468088
2-(4-acetyl-2-methoxyphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 7732618
2-(4-acetyl-2-methoxyphenoxy)-N-(2,2-dimethyl-1-phenylpropyl)acetamide
CID 55643256
2-(4-acetyl-2-methoxyphenoxy)-N-(2-bromophenyl)acetamide
CID 26536729
1-(4-acetyl-2-methoxyphenoxy)butan-2-one
CID 62041056
2-(4-acetyl-2-methoxyphenoxy)-N-(2-phenylbutyl)acetamide
CID 51190365
2-(2-methoxyphenoxy)-N-(3-methylbutan-2-ylideneamino)acetamide
CID 4560808
2-(4-acetyl-2-methoxyphenoxy)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]acetamide
CID 42906840
2-[2-(2-benzhydrylidenehydrazinyl)-2-oxoethoxy]benzamide
CID 7642098

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-2-methoxyphenoxy)-N-(benzhydrylideneamino)acetamide?
The IUPAC name of 2-(4-acetyl-2-methoxyphenoxy)-N-(benzhydrylideneamino)acetamide (CID 7695777) is 2-(4-acetyl-2-methoxyphenoxy)-N-(benzhydrylideneamino)acetamide.
What is the SMILES notation for 2-(4-acetyl-2-methoxyphenoxy)-N-(benzhydrylideneamino)acetamide?
The canonical SMILES for 2-(4-acetyl-2-methoxyphenoxy)-N-(benzhydrylideneamino)acetamide is COc1cc(C(C)=O)ccc1OCC(=O)NN=C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(4-acetyl-2-methoxyphenoxy)-N-(benzhydrylideneamino)acetamide?
The InChIKey is QSSPXCYYYQWIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4/c1-17(27)20-13-14-21(22(15-20)29-2)30-16-23(28)25-26-24(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-15H,16H2,1-2H3,(H,25,28).
What are the key properties of 2-(4-acetyl-2-methoxyphenoxy)-N-(benzhydrylideneamino)acetamide?
2-(4-acetyl-2-methoxyphenoxy)-N-(benzhydrylideneamino)acetamide has a molecular weight of 402.45 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-2-methoxyphenoxy)-N-(benzhydrylideneamino)acetamide is sourced from PubChem (CID 7695777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).