4-[[2-(methoxymethyl)anilino]methyl]-3-methylbenzamide

C17H20N2O2 — CID 114480071

IUPAC4-[[2-(methoxymethyl)anilino]methyl]-3-methylbenzamide
SMILESCOCc1ccccc1NCc1ccc(C(N)=O)cc1C
InChIInChI=1S/C17H20N2O2/c1-12-9-13(17(18)20)7-8-14(12)10-19-16-6-4-3-5-15(16)11-21-2/h3-9,19H,10-11H2,1-2H3,(H2,18,20)
InChIKeyCPIVKQLADVXBMP-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.85
Rot. Bonds6

About 4-[[2-(methoxymethyl)anilino]methyl]-3-methylbenzamide

4-[[2-(methoxymethyl)anilino]methyl]-3-methylbenzamide (PubChem CID 114480071) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-[[2-(methoxymethyl)anilino]methyl]-3-methylbenzamide.

Molecular Properties

Compound Name4-[[2-(methoxymethyl)anilino]methyl]-3-methylbenzamide
PubChem CID114480071
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name4-[[2-(methoxymethyl)anilino]methyl]-3-methylbenzamide
SMILESCOCc1ccccc1NCc1ccc(C(N)=O)cc1C
InChIInChI=1S/C17H20N2O2/c1-12-9-13(17(18)20)7-8-14(12)10-19-16-6-4-3-5-15(16)11-21-2/h3-9,19H,10-11H2,1-2H3,(H2,18,20)
InChIKeyCPIVKQLADVXBMP-UHFFFAOYSA-N
XLogP2.85
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[2-(methoxymethyl)anilino]methyl]-3-methylbenzamide 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-(anilinomethyl)-3-methylbenzamide
CID 114479545
5-[[2-(methoxymethyl)anilino]methyl]thiophene-3-carboxamide
CID 79613750
4-[[(2-methoxyphenyl)methylamino]methyl]-3-methylbenzamide
CID 114479587
4-[(4-fluoro-2-methoxyanilino)methyl]-3-methylbenzamide
CID 114480113
4-[(2-cyano-3-methylanilino)methyl]-3-methylbenzamide
CID 107804479
3-chloro-4-[(2-methylanilino)methyl]benzamide
CID 102663959
3-methyl-4-[(3-methylanilino)methyl]benzamide
CID 114479536
4-amino-N-[2-(methoxymethyl)phenyl]-3-methylbenzamide
CID 43701008
3-methyl-4-[(phenylmethoxyamino)methyl]benzamide
CID 114480423
4-[(3-iodoanilino)methyl]-3-methylbenzamide
CID 114479793
4-[2-(methoxymethyl)anilino]-3-methylbenzoic acid
CID 63212427
4-[(4-methoxybutan-2-ylamino)methyl]-3-methylbenzamide
CID 114480398

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(methoxymethyl)anilino]methyl]-3-methylbenzamide?
The IUPAC name of 4-[[2-(methoxymethyl)anilino]methyl]-3-methylbenzamide (CID 114480071) is 4-[[2-(methoxymethyl)anilino]methyl]-3-methylbenzamide.
What is the SMILES notation for 4-[[2-(methoxymethyl)anilino]methyl]-3-methylbenzamide?
The canonical SMILES for 4-[[2-(methoxymethyl)anilino]methyl]-3-methylbenzamide is COCc1ccccc1NCc1ccc(C(N)=O)cc1C.
What is the InChIKey of 4-[[2-(methoxymethyl)anilino]methyl]-3-methylbenzamide?
The InChIKey is CPIVKQLADVXBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12-9-13(17(18)20)7-8-14(12)10-19-16-6-4-3-5-15(16)11-21-2/h3-9,19H,10-11H2,1-2H3,(H2,18,20).
What are the key properties of 4-[[2-(methoxymethyl)anilino]methyl]-3-methylbenzamide?
4-[[2-(methoxymethyl)anilino]methyl]-3-methylbenzamide has a molecular weight of 284.36 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(methoxymethyl)anilino]methyl]-3-methylbenzamide is sourced from PubChem (CID 114480071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).