2-methoxy-N-[(4-methylphenyl)-phenylmethylidene]benzamide

C22H19NO2 — CID 4674835

IUPAC2-methoxy-N-[(4-methylphenyl)-phenylmethylidene]benzamide
SMILESCOc1ccccc1C(=O)/N=C(\c1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C22H19NO2/c1-16-12-14-18(15-13-16)21(17-8-4-3-5-9-17)23-22(24)19-10-6-7-11-20(19)25-2/h3-15H,1-2H3/b23-21+
InChIKeyJAMSMEJEYYTTNC-XTQSDGFTSA-N
MW329.40 g/mol
LogP4.68
Rot. Bonds4

About 2-methoxy-N-[(4-methylphenyl)-phenylmethylidene]benzamide

2-methoxy-N-[(4-methylphenyl)-phenylmethylidene]benzamide (PubChem CID 4674835) has the molecular formula C22H19NO2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-methoxy-N-[(4-methylphenyl)-phenylmethylidene]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[(4-methylphenyl)-phenylmethylidene]benzamide
PubChem CID4674835
Molecular FormulaC22H19NO2
Molecular Weight329.40 g/mol
Exact Mass329.14
IUPAC Name2-methoxy-N-[(4-methylphenyl)-phenylmethylidene]benzamide
SMILESCOc1ccccc1C(=O)/N=C(\c1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C22H19NO2/c1-16-12-14-18(15-13-16)21(17-8-4-3-5-9-17)23-22(24)19-10-6-7-11-20(19)25-2/h3-15H,1-2H3/b23-21+
InChIKeyJAMSMEJEYYTTNC-XTQSDGFTSA-N
XLogP4.68
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(NE)-N-[(2-methoxyphenyl)-phenylmethylidene]hydroxylamine
CID 14927109
(Z)-3-(2-methoxyphenyl)-3-(4-methylphenyl)prop-2-enoic acid
CID 83564407
2-methoxy-N-[(Z)-1-(4-methylphenyl)ethylideneamino]benzamide
CID 6152790
[2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-methoxybenzoate
CID 2926237
N-ethylidene-2-methoxybenzamide
CID 59324630
S-(2-methoxyphenyl) 4-methylbenzenecarbothioate
CID 71424102
N-benzhydrylidene-4-benzoylbenzamide
CID 4145646
(NZ)-N-[(4-methylphenyl)-phenylmethylidene]hydroxylamine
CID 6303063
3-methoxy-2-(4-methylphenyl)benzoic acid
CID 22418016
(3,4-dimethylphenyl)-(2-methoxyphenyl)methanone
CID 24722768
N-benzhydrylidene-2-(2,2-diphenylethenylideneamino)benzamide
CID 11306080
(4-benzoylphenyl) 2-methoxybenzoate
CID 1234638

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(4-methylphenyl)-phenylmethylidene]benzamide?
The IUPAC name of 2-methoxy-N-[(4-methylphenyl)-phenylmethylidene]benzamide (CID 4674835) is 2-methoxy-N-[(4-methylphenyl)-phenylmethylidene]benzamide.
What is the SMILES notation for 2-methoxy-N-[(4-methylphenyl)-phenylmethylidene]benzamide?
The canonical SMILES for 2-methoxy-N-[(4-methylphenyl)-phenylmethylidene]benzamide is COc1ccccc1C(=O)/N=C(\c1ccccc1)c1ccc(C)cc1.
What is the InChIKey of 2-methoxy-N-[(4-methylphenyl)-phenylmethylidene]benzamide?
The InChIKey is JAMSMEJEYYTTNC-XTQSDGFTSA-N. The full InChI is InChI=1S/C22H19NO2/c1-16-12-14-18(15-13-16)21(17-8-4-3-5-9-17)23-22(24)19-10-6-7-11-20(19)25-2/h3-15H,1-2H3/b23-21+.
What are the key properties of 2-methoxy-N-[(4-methylphenyl)-phenylmethylidene]benzamide?
2-methoxy-N-[(4-methylphenyl)-phenylmethylidene]benzamide has a molecular weight of 329.40 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(4-methylphenyl)-phenylmethylidene]benzamide is sourced from PubChem (CID 4674835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).