N-[(E)-benzylideneamino]-4-methoxy-N-methylbenzamide

C16H16N2O2 — CID 44622846

IUPACN-[(E)-benzylideneamino]-4-methoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)/N=C/c2ccccc2)cc1
InChIInChI=1S/C16H16N2O2/c1-18(17-12-13-6-4-3-5-7-13)16(19)14-8-10-15(20-2)11-9-14/h3-12H,1-2H3/b17-12+
InChIKeyLZHYZAHSFAGMET-SFQUDFHCSA-N
MW268.32 g/mol
LogP2.80
Rot. Bonds4

About N-[(E)-benzylideneamino]-4-methoxy-N-methylbenzamide

N-[(E)-benzylideneamino]-4-methoxy-N-methylbenzamide (PubChem CID 44622846) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is N-[(E)-benzylideneamino]-4-methoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-[(E)-benzylideneamino]-4-methoxy-N-methylbenzamide
PubChem CID44622846
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC NameN-[(E)-benzylideneamino]-4-methoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)/N=C/c2ccccc2)cc1
InChIInChI=1S/C16H16N2O2/c1-18(17-12-13-6-4-3-5-7-13)16(19)14-8-10-15(20-2)11-9-14/h3-12H,1-2H3/b17-12+
InChIKeyLZHYZAHSFAGMET-SFQUDFHCSA-N
XLogP2.80
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.80
H-Bond Donors ≤ 50
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)-benzylideneamino]-4-methoxy-N-methylbenzamide?
The IUPAC name of N-[(E)-benzylideneamino]-4-methoxy-N-methylbenzamide (CID 44622846) is N-[(E)-benzylideneamino]-4-methoxy-N-methylbenzamide.
What is the SMILES notation for N-[(E)-benzylideneamino]-4-methoxy-N-methylbenzamide?
The canonical SMILES for N-[(E)-benzylideneamino]-4-methoxy-N-methylbenzamide is COc1ccc(C(=O)N(C)/N=C/c2ccccc2)cc1.
What is the InChIKey of N-[(E)-benzylideneamino]-4-methoxy-N-methylbenzamide?
The InChIKey is LZHYZAHSFAGMET-SFQUDFHCSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-18(17-12-13-6-4-3-5-7-13)16(19)14-8-10-15(20-2)11-9-14/h3-12H,1-2H3/b17-12+.
What are the key properties of N-[(E)-benzylideneamino]-4-methoxy-N-methylbenzamide?
N-[(E)-benzylideneamino]-4-methoxy-N-methylbenzamide has a molecular weight of 268.32 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-benzylideneamino]-4-methoxy-N-methylbenzamide is sourced from PubChem (CID 44622846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).