4-amino-3-(methoxymethyl)-N-(2-methylphenyl)benzamide

C16H18N2O2 — CID 57264784

IUPAC4-amino-3-(methoxymethyl)-N-(2-methylphenyl)benzamide
SMILESCOCc1cc(C(=O)Nc2ccccc2C)ccc1N
InChIInChI=1S/C16H18N2O2/c1-11-5-3-4-6-15(11)18-16(19)12-7-8-14(17)13(9-12)10-20-2/h3-9H,10,17H2,1-2H3,(H,18,19)
InChIKeyYSTPTTPADYZPJK-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.98
Rot. Bonds4

About 4-amino-3-(methoxymethyl)-N-(2-methylphenyl)benzamide

4-amino-3-(methoxymethyl)-N-(2-methylphenyl)benzamide (PubChem CID 57264784) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 4-amino-3-(methoxymethyl)-N-(2-methylphenyl)benzamide.

Molecular Properties

Compound Name4-amino-3-(methoxymethyl)-N-(2-methylphenyl)benzamide
PubChem CID57264784
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name4-amino-3-(methoxymethyl)-N-(2-methylphenyl)benzamide
SMILESCOCc1cc(C(=O)Nc2ccccc2C)ccc1N
InChIInChI=1S/C16H18N2O2/c1-11-5-3-4-6-15(11)18-16(19)12-7-8-14(17)13(9-12)10-20-2/h3-9H,10,17H2,1-2H3,(H,18,19)
InChIKeyYSTPTTPADYZPJK-UHFFFAOYSA-N
XLogP2.98
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[2-(methoxymethyl)phenyl]-3-methylbenzamide
CID 43701008
4-amino-3-fluoro-N-(2-methylphenyl)benzamide
CID 55102680
3-bromo-N-[2-(methoxymethyl)phenyl]-4-methylbenzamide
CID 79467282
2-(methoxymethyl)-4-[(2-pyrrol-1-ylphenyl)carbamoyl]benzoic acid
CID 91104079
4-amino-N-(2-iodophenyl)-3-methylbenzamide
CID 28977721
N-(2-methylphenyl)naphthalene-2-carboxamide
CID 790563
3,4-dihydroxy-N-(2-methylphenyl)benzamide
CID 57150208
3-amino-N-(2-methylphenyl)-4-nitrobenzamide
CID 62682473
3-amino-N-[2-(ethoxymethyl)phenyl]-4-methylbenzamide
CID 43695797
4-(2-amino-2-oxoethoxy)-3-methoxy-N-(2-methylphenyl)benzamide
CID 8872324
3-bromo-4-methoxy-N-(2-methylphenyl)benzamide
CID 798203
2-amino-4,5-dimethoxy-N-(2-methylphenyl)benzamide
CID 14127147

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(methoxymethyl)-N-(2-methylphenyl)benzamide?
The IUPAC name of 4-amino-3-(methoxymethyl)-N-(2-methylphenyl)benzamide (CID 57264784) is 4-amino-3-(methoxymethyl)-N-(2-methylphenyl)benzamide.
What is the SMILES notation for 4-amino-3-(methoxymethyl)-N-(2-methylphenyl)benzamide?
The canonical SMILES for 4-amino-3-(methoxymethyl)-N-(2-methylphenyl)benzamide is COCc1cc(C(=O)Nc2ccccc2C)ccc1N.
What is the InChIKey of 4-amino-3-(methoxymethyl)-N-(2-methylphenyl)benzamide?
The InChIKey is YSTPTTPADYZPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-11-5-3-4-6-15(11)18-16(19)12-7-8-14(17)13(9-12)10-20-2/h3-9H,10,17H2,1-2H3,(H,18,19).
What are the key properties of 4-amino-3-(methoxymethyl)-N-(2-methylphenyl)benzamide?
4-amino-3-(methoxymethyl)-N-(2-methylphenyl)benzamide has a molecular weight of 270.33 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(methoxymethyl)-N-(2-methylphenyl)benzamide is sourced from PubChem (CID 57264784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).