2-amino-N-(3-ethoxyphenyl)-3-methylbenzamide

C16H18N2O2 — CID 61103168

IUPAC2-amino-N-(3-ethoxyphenyl)-3-methylbenzamide
SMILESCCOc1cccc(NC(=O)c2cccc(C)c2N)c1
InChIInChI=1S/C16H18N2O2/c1-3-20-13-8-5-7-12(10-13)18-16(19)14-9-4-6-11(2)15(14)17/h4-10H,3,17H2,1-2H3,(H,18,19)
InChIKeyKXOFTMFSVXBGKJ-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.23
Rot. Bonds4

About 2-amino-N-(3-ethoxyphenyl)-3-methylbenzamide

2-amino-N-(3-ethoxyphenyl)-3-methylbenzamide (PubChem CID 61103168) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-amino-N-(3-ethoxyphenyl)-3-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-(3-ethoxyphenyl)-3-methylbenzamide
PubChem CID61103168
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name2-amino-N-(3-ethoxyphenyl)-3-methylbenzamide
SMILESCCOc1cccc(NC(=O)c2cccc(C)c2N)c1
InChIInChI=1S/C16H18N2O2/c1-3-20-13-8-5-7-12(10-13)18-16(19)14-9-4-6-11(2)15(14)17/h4-10H,3,17H2,1-2H3,(H,18,19)
InChIKeyKXOFTMFSVXBGKJ-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-N-(3-ethoxyphenyl)-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

N-(3-ethoxyphenyl)-2-hydrazinylbenzamide
CID 62247314
2-[(3-ethoxyphenyl)carbamoyl]benzoic acid
CID 17098079
N-(3-ethoxyphenyl)-2-methyl-5-sulfanylbenzamide
CID 107025835
2-amino-3-methyl-N-(4-propoxyphenyl)benzamide
CID 62329162
N-(3-ethoxyphenyl)-2-iodo-4-methylbenzamide
CID 100526929
N-[3-(2-aminoethoxy)phenyl]-2-fluoro-3-methylbenzamide
CID 81481242
N-(3-ethoxyphenyl)-5-fluoro-2-hydroxybenzamide
CID 71459065
2-amino-N-(3-ethoxyphenyl)-6-methoxybenzamide
CID 81394304
2-ethoxy-N-(3-methoxyphenyl)benzamide
CID 760215
4-chloro-N-(3-ethoxyphenyl)-2-fluorobenzamide
CID 47311708
ethyl 2-[3-[(2-fluorobenzoyl)amino]phenoxy]acetate
CID 39269783
4-carbamothioyl-N-(3-ethoxyphenyl)benzamide
CID 61242679

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-ethoxyphenyl)-3-methylbenzamide?
The IUPAC name of 2-amino-N-(3-ethoxyphenyl)-3-methylbenzamide (CID 61103168) is 2-amino-N-(3-ethoxyphenyl)-3-methylbenzamide.
What is the SMILES notation for 2-amino-N-(3-ethoxyphenyl)-3-methylbenzamide?
The canonical SMILES for 2-amino-N-(3-ethoxyphenyl)-3-methylbenzamide is CCOc1cccc(NC(=O)c2cccc(C)c2N)c1.
What is the InChIKey of 2-amino-N-(3-ethoxyphenyl)-3-methylbenzamide?
The InChIKey is KXOFTMFSVXBGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-3-20-13-8-5-7-12(10-13)18-16(19)14-9-4-6-11(2)15(14)17/h4-10H,3,17H2,1-2H3,(H,18,19).
What are the key properties of 2-amino-N-(3-ethoxyphenyl)-3-methylbenzamide?
2-amino-N-(3-ethoxyphenyl)-3-methylbenzamide has a molecular weight of 270.33 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-ethoxyphenyl)-3-methylbenzamide is sourced from PubChem (CID 61103168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).