2-[(4-methoxyphenyl)methylideneamino]-N-phenylacetamide

C16H16N2O2 — CID 70606724

IUPAC2-[(4-methoxyphenyl)methylideneamino]-N-phenylacetamide
SMILESCOc1ccc(/C=N/CC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C16H16N2O2/c1-20-15-9-7-13(8-10-15)11-17-12-16(19)18-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,18,19)/b17-11+
InChIKeyVCKSUKBCQKXHDS-GZTJUZNOSA-N
MW268.32 g/mol
LogP2.75
Rot. Bonds5

About 2-[(4-methoxyphenyl)methylideneamino]-N-phenylacetamide

2-[(4-methoxyphenyl)methylideneamino]-N-phenylacetamide (PubChem CID 70606724) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methylideneamino]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methylideneamino]-N-phenylacetamide
PubChem CID70606724
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name2-[(4-methoxyphenyl)methylideneamino]-N-phenylacetamide
SMILESCOc1ccc(/C=N/CC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C16H16N2O2/c1-20-15-9-7-13(8-10-15)11-17-12-16(19)18-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,18,19)/b17-11+
InChIKeyVCKSUKBCQKXHDS-GZTJUZNOSA-N
XLogP2.75
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[(4-methoxyphenyl)methylideneamino]-N-[4-(4-nitrophenyl)selanylphenyl]acetamide
CID 10671960
2-[4-[(4-methoxyphenyl)iminomethyl]phenoxy]-N-phenylacetamide
CID 94832090
2-[4-[(Z)-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]-N-phenylacetamide
CID 5429334
N'-(4-methoxyphenyl)-N-phenylpropanediamide
CID 15154641
N'-(benzylideneamino)-N-(4-methoxyphenyl)propanediamide
CID 5156637
2-[(4-methylphenyl)methylideneamino]-N-[4-(3-phenylpropoxy)phenyl]acetamide
CID 142272598
2-(4-methoxyanilino)-N-phenylacetamide
CID 7636829
4-(4-methoxyphenyl)-N-phenylbutanamide
CID 48980411
1-(benzylideneamino)-3-(4-methoxyphenyl)urea
CID 154302769
methyl 2-(benzylideneamino)acetate
CID 132550307
[(Z)-benzylideneamino] N-(4-methoxyphenyl)carbamate
CID 5406978
propan-2-yl 2-[(4-methoxyphenyl)methylideneamino]acetate
CID 14076273

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methylideneamino]-N-phenylacetamide?
The IUPAC name of 2-[(4-methoxyphenyl)methylideneamino]-N-phenylacetamide (CID 70606724) is 2-[(4-methoxyphenyl)methylideneamino]-N-phenylacetamide.
What is the SMILES notation for 2-[(4-methoxyphenyl)methylideneamino]-N-phenylacetamide?
The canonical SMILES for 2-[(4-methoxyphenyl)methylideneamino]-N-phenylacetamide is COc1ccc(/C=N/CC(=O)Nc2ccccc2)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methylideneamino]-N-phenylacetamide?
The InChIKey is VCKSUKBCQKXHDS-GZTJUZNOSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-20-15-9-7-13(8-10-15)11-17-12-16(19)18-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,18,19)/b17-11+.
What are the key properties of 2-[(4-methoxyphenyl)methylideneamino]-N-phenylacetamide?
2-[(4-methoxyphenyl)methylideneamino]-N-phenylacetamide has a molecular weight of 268.32 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methylideneamino]-N-phenylacetamide is sourced from PubChem (CID 70606724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).