N-[1-(4-methylphenyl)ethylideneamino]-2-phenylmethoxybenzamide

C23H22N2O2 — CID 4937869

IUPACN-[1-(4-methylphenyl)ethylideneamino]-2-phenylmethoxybenzamide
SMILESCC(=NNC(=O)c1ccccc1OCc1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C23H22N2O2/c1-17-12-14-20(15-13-17)18(2)24-25-23(26)21-10-6-7-11-22(21)27-16-19-8-4-3-5-9-19/h3-15H,16H2,1-2H3,(H,25,26)
InChIKeyDEHCKXUPSFCEQM-UHFFFAOYSA-N
MW358.44 g/mol
LogP4.73
Rot. Bonds6

About N-[1-(4-methylphenyl)ethylideneamino]-2-phenylmethoxybenzamide

N-[1-(4-methylphenyl)ethylideneamino]-2-phenylmethoxybenzamide (PubChem CID 4937869) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)ethylideneamino]-2-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)ethylideneamino]-2-phenylmethoxybenzamide
PubChem CID4937869
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC NameN-[1-(4-methylphenyl)ethylideneamino]-2-phenylmethoxybenzamide
SMILESCC(=NNC(=O)c1ccccc1OCc1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C23H22N2O2/c1-17-12-14-20(15-13-17)18(2)24-25-23(26)21-10-6-7-11-22(21)27-16-19-8-4-3-5-9-19/h3-15H,16H2,1-2H3,(H,25,26)
InChIKeyDEHCKXUPSFCEQM-UHFFFAOYSA-N
XLogP4.73
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.73
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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Related Compounds

2-phenylmethoxy-N-(propan-2-ylideneamino)benzamide
CID 5200532
2-methoxy-N-[(Z)-1-(4-methylphenyl)ethylideneamino]benzamide
CID 6152790
N-[(E)-1,1-diphenylpropan-2-ylideneamino]-2-phenylmethoxybenzamide
CID 54785183
N-[1-(4-hydroxyphenyl)ethylideneamino]-2-prop-2-enoxybenzamide
CID 4928960
2-methyl-N-[(Z)-1-(4-phenylmethoxyphenyl)ethylideneamino]furan-3-carboxamide
CID 9359637
N-[(E)-heptan-2-ylideneamino]-2-phenylmethoxybenzamide
CID 54784658
N-[1-(4-bromophenyl)ethylideneamino]-4-phenylmethoxybenzamide
CID 4933030
N-[1-(2-hydroxyphenyl)ethylideneamino]-4-phenylmethoxybenzamide
CID 4933076
N-[1-(4-chlorophenyl)ethylideneamino]-2-propoxybenzamide
CID 4931511
N-[1-(4-chlorophenyl)ethylideneamino]-4-[(4-methylphenyl)methoxy]benzamide
CID 171131786
2-ethoxy-N-[(Z)-1-pyridin-4-ylethylideneamino]benzamide
CID 142204372
2-chloro-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethylideneamino]pyridine-3-carboxamide
CID 5179011

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenyl)ethylideneamino]-2-phenylmethoxybenzamide?
The IUPAC name of N-[1-(4-methylphenyl)ethylideneamino]-2-phenylmethoxybenzamide (CID 4937869) is N-[1-(4-methylphenyl)ethylideneamino]-2-phenylmethoxybenzamide.
What is the SMILES notation for N-[1-(4-methylphenyl)ethylideneamino]-2-phenylmethoxybenzamide?
The canonical SMILES for N-[1-(4-methylphenyl)ethylideneamino]-2-phenylmethoxybenzamide is CC(=NNC(=O)c1ccccc1OCc1ccccc1)c1ccc(C)cc1.
What is the InChIKey of N-[1-(4-methylphenyl)ethylideneamino]-2-phenylmethoxybenzamide?
The InChIKey is DEHCKXUPSFCEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-17-12-14-20(15-13-17)18(2)24-25-23(26)21-10-6-7-11-22(21)27-16-19-8-4-3-5-9-19/h3-15H,16H2,1-2H3,(H,25,26).
What are the key properties of N-[1-(4-methylphenyl)ethylideneamino]-2-phenylmethoxybenzamide?
N-[1-(4-methylphenyl)ethylideneamino]-2-phenylmethoxybenzamide has a molecular weight of 358.44 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)ethylideneamino]-2-phenylmethoxybenzamide is sourced from PubChem (CID 4937869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).