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

C16H16N2O2 — CID 6870872

IUPACN-[(E)-(4-methoxyphenyl)methylideneamino]-2-phenylacetamide
SMILESCOc1ccc(/C=N/NC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C16H16N2O2/c1-20-15-9-7-14(8-10-15)12-17-18-16(19)11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H,18,19)/b17-12+
InChIKeyFCHCUNHWCMPCGS-SFQUDFHCSA-N
MW268.32 g/mol
LogP2.39
Rot. Bonds5

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

N-[(E)-(4-methoxyphenyl)methylideneamino]-2-phenylacetamide (PubChem CID 6870872) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is N-[(E)-(4-methoxyphenyl)methylideneamino]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(E)-(4-methoxyphenyl)methylideneamino]-2-phenylacetamide
PubChem CID6870872
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC NameN-[(E)-(4-methoxyphenyl)methylideneamino]-2-phenylacetamide
SMILESCOc1ccc(/C=N/NC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C16H16N2O2/c1-20-15-9-7-14(8-10-15)12-17-18-16(19)11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H,18,19)/b17-12+
InChIKeyFCHCUNHWCMPCGS-SFQUDFHCSA-N
XLogP2.39
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 ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-methoxyphenyl)methylideneamino]-2-phenylacetamide?
The IUPAC name of N-[(E)-(4-methoxyphenyl)methylideneamino]-2-phenylacetamide (CID 6870872) is N-[(E)-(4-methoxyphenyl)methylideneamino]-2-phenylacetamide.
What is the SMILES notation for N-[(E)-(4-methoxyphenyl)methylideneamino]-2-phenylacetamide?
The canonical SMILES for N-[(E)-(4-methoxyphenyl)methylideneamino]-2-phenylacetamide is COc1ccc(/C=N/NC(=O)Cc2ccccc2)cc1.
What is the InChIKey of N-[(E)-(4-methoxyphenyl)methylideneamino]-2-phenylacetamide?
The InChIKey is FCHCUNHWCMPCGS-SFQUDFHCSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-20-15-9-7-14(8-10-15)12-17-18-16(19)11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H,18,19)/b17-12+.
What are the key properties of N-[(E)-(4-methoxyphenyl)methylideneamino]-2-phenylacetamide?
N-[(E)-(4-methoxyphenyl)methylideneamino]-2-phenylacetamide has a molecular weight of 268.32 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-methoxyphenyl)methylideneamino]-2-phenylacetamide is sourced from PubChem (CID 6870872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).