3-methyl-4-[(phenylmethoxyamino)methyl]benzamide

C16H18N2O2 — CID 114480423

IUPAC3-methyl-4-[(phenylmethoxyamino)methyl]benzamide
SMILESCc1cc(C(N)=O)ccc1CNOCc1ccccc1
InChIInChI=1S/C16H18N2O2/c1-12-9-14(16(17)19)7-8-15(12)10-18-20-11-13-5-3-2-4-6-13/h2-9,18H,10-11H2,1H3,(H2,17,19)
InChIKeyBNRYZNHOJZJORY-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.32
Rot. Bonds6

About 3-methyl-4-[(phenylmethoxyamino)methyl]benzamide

3-methyl-4-[(phenylmethoxyamino)methyl]benzamide (PubChem CID 114480423) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-methyl-4-[(phenylmethoxyamino)methyl]benzamide.

Molecular Properties

Compound Name3-methyl-4-[(phenylmethoxyamino)methyl]benzamide
PubChem CID114480423
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name3-methyl-4-[(phenylmethoxyamino)methyl]benzamide
SMILESCc1cc(C(N)=O)ccc1CNOCc1ccccc1
InChIInChI=1S/C16H18N2O2/c1-12-9-14(16(17)19)7-8-15(12)10-18-20-11-13-5-3-2-4-6-13/h2-9,18H,10-11H2,1H3,(H2,17,19)
InChIKeyBNRYZNHOJZJORY-UHFFFAOYSA-N
XLogP2.32
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-methyl-4-[(phenylmethoxyamino)methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-fluoro-3-[(phenylmethoxyamino)methyl]benzamide
CID 64974498
3-methyl-4-[(phenylmethoxyamino)methyl]phenol
CID 82622246
4-(anilinomethyl)-3-methylbenzamide
CID 114479545
methyl 3-bromo-4-[(phenylmethoxyamino)methyl]benzoate
CID 102766713
4-[[2-(methoxymethyl)anilino]methyl]-3-methylbenzamide
CID 114480071
4-[[(4-hydroxyphenyl)methylamino]methyl]-3-methylbenzamide
CID 114480871
4-[[(2-methoxyphenyl)methylamino]methyl]-3-methylbenzamide
CID 114479587
4-[[(3-fluorophenyl)methylamino]methyl]-3-methylbenzamide
CID 114479786
3-methyl-4-[(propan-2-ylamino)methyl]benzamide
CID 114479524
3,5-dimethyl-4-phenylmethoxybenzamide
CID 97179397
3-methyl-4-[(2-methylphenoxy)methyl]benzamide
CID 114486222
4-[(3-iodoanilino)methyl]-3-methylbenzamide
CID 114479793

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(phenylmethoxyamino)methyl]benzamide?
The IUPAC name of 3-methyl-4-[(phenylmethoxyamino)methyl]benzamide (CID 114480423) is 3-methyl-4-[(phenylmethoxyamino)methyl]benzamide.
What is the SMILES notation for 3-methyl-4-[(phenylmethoxyamino)methyl]benzamide?
The canonical SMILES for 3-methyl-4-[(phenylmethoxyamino)methyl]benzamide is Cc1cc(C(N)=O)ccc1CNOCc1ccccc1.
What is the InChIKey of 3-methyl-4-[(phenylmethoxyamino)methyl]benzamide?
The InChIKey is BNRYZNHOJZJORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-12-9-14(16(17)19)7-8-15(12)10-18-20-11-13-5-3-2-4-6-13/h2-9,18H,10-11H2,1H3,(H2,17,19).
What are the key properties of 3-methyl-4-[(phenylmethoxyamino)methyl]benzamide?
3-methyl-4-[(phenylmethoxyamino)methyl]benzamide has a molecular weight of 270.33 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(phenylmethoxyamino)methyl]benzamide is sourced from PubChem (CID 114480423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).