3-methyl-N-[(4-methylphenyl)methoxy]benzamide

C16H17NO2 — CID 19582487

IUPAC3-methyl-N-[(4-methylphenyl)methoxy]benzamide
SMILESCc1ccc(CONC(=O)c2cccc(C)c2)cc1
InChIInChI=1S/C16H17NO2/c1-12-6-8-14(9-7-12)11-19-17-16(18)15-5-3-4-13(2)10-15/h3-10H,11H2,1-2H3,(H,17,18)
InChIKeyKAZJOTVLXJMHQU-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.17
Rot. Bonds4

About 3-methyl-N-[(4-methylphenyl)methoxy]benzamide

3-methyl-N-[(4-methylphenyl)methoxy]benzamide (PubChem CID 19582487) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-methyl-N-[(4-methylphenyl)methoxy]benzamide.

Molecular Properties

Compound Name3-methyl-N-[(4-methylphenyl)methoxy]benzamide
PubChem CID19582487
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name3-methyl-N-[(4-methylphenyl)methoxy]benzamide
SMILESCc1ccc(CONC(=O)c2cccc(C)c2)cc1
InChIInChI=1S/C16H17NO2/c1-12-6-8-14(9-7-12)11-19-17-16(18)15-5-3-4-13(2)10-15/h3-10H,11H2,1-2H3,(H,17,18)
InChIKeyKAZJOTVLXJMHQU-UHFFFAOYSA-N
XLogP3.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-Benzoyl-O-benzylhydroxylamine
CID 252925
N-[(4-methylphenyl)methoxy]benzamide
CID 2366824
3-(4-Carbamoylphenyl)benzoic acid
CID 126484502
(4-methylphenyl)-N-[(4-methylphenyl)methoxy]carboxamide
CID 4776030
4-chloro-N-[(4-methylbenzyl)oxy]benzamide
CID 19581648
4-(Hydroxymethyl)benzamide
CID 584760
N-[6-(hydroxyamino)-6-oxo-hexoxy]-4-phenyl-benzamide
CID 90681605
N-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methoxy]-3,5-dimethylbenzamide
CID 155510762
N-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methoxy]benzamide
CID 155529646
2-chloro-N-[(4-methylbenzyl)oxy]benzamide
CID 5243837
Dibenzhydroxamic acid
CID 94873
3-(3-Carbamoyl-phenyl)-acrylic acid benzyl ester
CID 10540769

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(4-methylphenyl)methoxy]benzamide?
The IUPAC name of 3-methyl-N-[(4-methylphenyl)methoxy]benzamide (CID 19582487) is 3-methyl-N-[(4-methylphenyl)methoxy]benzamide.
What is the SMILES notation for 3-methyl-N-[(4-methylphenyl)methoxy]benzamide?
The canonical SMILES for 3-methyl-N-[(4-methylphenyl)methoxy]benzamide is Cc1ccc(CONC(=O)c2cccc(C)c2)cc1.
What is the InChIKey of 3-methyl-N-[(4-methylphenyl)methoxy]benzamide?
The InChIKey is KAZJOTVLXJMHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-12-6-8-14(9-7-12)11-19-17-16(18)15-5-3-4-13(2)10-15/h3-10H,11H2,1-2H3,(H,17,18).
What are the key properties of 3-methyl-N-[(4-methylphenyl)methoxy]benzamide?
3-methyl-N-[(4-methylphenyl)methoxy]benzamide has a molecular weight of 255.32 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(4-methylphenyl)methoxy]benzamide is sourced from PubChem (CID 19582487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).