4-amino-N-[2-(methoxymethyl)phenyl]-3-methylbenzamide

C16H18N2O2 — CID 43701008

IUPAC4-amino-N-[2-(methoxymethyl)phenyl]-3-methylbenzamide
SMILESCOCc1ccccc1NC(=O)c1ccc(N)c(C)c1
InChIInChI=1S/C16H18N2O2/c1-11-9-12(7-8-14(11)17)16(19)18-15-6-4-3-5-13(15)10-20-2/h3-9H,10,17H2,1-2H3,(H,18,19)
InChIKeyAKIUMPUZTGOFMT-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.98
Rot. Bonds4

About 4-amino-N-[2-(methoxymethyl)phenyl]-3-methylbenzamide

4-amino-N-[2-(methoxymethyl)phenyl]-3-methylbenzamide (PubChem CID 43701008) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 4-amino-N-[2-(methoxymethyl)phenyl]-3-methylbenzamide.

Molecular Properties

Compound Name4-amino-N-[2-(methoxymethyl)phenyl]-3-methylbenzamide
PubChem CID43701008
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name4-amino-N-[2-(methoxymethyl)phenyl]-3-methylbenzamide
SMILESCOCc1ccccc1NC(=O)c1ccc(N)c(C)c1
InChIInChI=1S/C16H18N2O2/c1-11-9-12(7-8-14(11)17)16(19)18-15-6-4-3-5-13(15)10-20-2/h3-9H,10,17H2,1-2H3,(H,18,19)
InChIKeyAKIUMPUZTGOFMT-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-3-(methoxymethyl)-N-(2-methylphenyl)benzamide
CID 57264784
3-bromo-N-[2-(methoxymethyl)phenyl]-4-methylbenzamide
CID 79467282
3-amino-N-[2-(ethoxymethyl)phenyl]-4-methylbenzamide
CID 43695797
4-(bromomethyl)-N-[2-(methoxymethyl)phenyl]benzamide
CID 102851092
4-amino-N-(2-iodophenyl)-3-methylbenzamide
CID 28977721
N-[2-(ethoxymethyl)phenyl]-3,4-dimethylbenzamide
CID 86821684
2-amino-4-methoxy-N-[2-(methoxymethyl)phenyl]benzamide
CID 115412626
4-bromo-N-(2-ethylphenyl)-3-methylbenzamide
CID 112705717
methyl 4-amino-3-[2-(methoxymethyl)anilino]benzoate
CID 82775744
N-[2-(methoxymethyl)phenyl]-1H-pyrazole-4-carboxamide
CID 61273892
N-(2-ethylphenyl)-3-methoxy-4-methylbenzamide
CID 16620352
4-[2-(methoxymethyl)anilino]-3-methylbenzoic acid
CID 63212427

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(methoxymethyl)phenyl]-3-methylbenzamide?
The IUPAC name of 4-amino-N-[2-(methoxymethyl)phenyl]-3-methylbenzamide (CID 43701008) is 4-amino-N-[2-(methoxymethyl)phenyl]-3-methylbenzamide.
What is the SMILES notation for 4-amino-N-[2-(methoxymethyl)phenyl]-3-methylbenzamide?
The canonical SMILES for 4-amino-N-[2-(methoxymethyl)phenyl]-3-methylbenzamide is COCc1ccccc1NC(=O)c1ccc(N)c(C)c1.
What is the InChIKey of 4-amino-N-[2-(methoxymethyl)phenyl]-3-methylbenzamide?
The InChIKey is AKIUMPUZTGOFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-11-9-12(7-8-14(11)17)16(19)18-15-6-4-3-5-13(15)10-20-2/h3-9H,10,17H2,1-2H3,(H,18,19).
What are the key properties of 4-amino-N-[2-(methoxymethyl)phenyl]-3-methylbenzamide?
4-amino-N-[2-(methoxymethyl)phenyl]-3-methylbenzamide 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-N-[2-(methoxymethyl)phenyl]-3-methylbenzamide is sourced from PubChem (CID 43701008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).