3-amino-N-(2-ethoxy-5-methylphenyl)-2-methylbenzamide

C17H20N2O2 — CID 91684333

IUPAC3-amino-N-(2-ethoxy-5-methylphenyl)-2-methylbenzamide
SMILESCCOc1ccc(C)cc1NC(=O)c1cccc(N)c1C
InChIInChI=1S/C17H20N2O2/c1-4-21-16-9-8-11(2)10-15(16)19-17(20)13-6-5-7-14(18)12(13)3/h5-10H,4,18H2,1-3H3,(H,19,20)
InChIKeyLWKXNJRJGFHPOG-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.54
Rot. Bonds4

About 3-amino-N-(2-ethoxy-5-methylphenyl)-2-methylbenzamide

3-amino-N-(2-ethoxy-5-methylphenyl)-2-methylbenzamide (PubChem CID 91684333) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-amino-N-(2-ethoxy-5-methylphenyl)-2-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-(2-ethoxy-5-methylphenyl)-2-methylbenzamide
PubChem CID91684333
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name3-amino-N-(2-ethoxy-5-methylphenyl)-2-methylbenzamide
SMILESCCOc1ccc(C)cc1NC(=O)c1cccc(N)c1C
InChIInChI=1S/C17H20N2O2/c1-4-21-16-9-8-11(2)10-15(16)19-17(20)13-6-5-7-14(18)12(13)3/h5-10H,4,18H2,1-3H3,(H,19,20)
InChIKeyLWKXNJRJGFHPOG-UHFFFAOYSA-N
XLogP3.54
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.54
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

2-amino-N-(2-ethoxy-4-methylphenyl)benzamide
CID 60933793
3-amino-N-(2-ethoxy-5-methylphenyl)-4-methoxybenzamide
CID 91684337
4-bromo-N-(2-ethoxy-5-methylphenyl)benzamide
CID 868412
2-amino-N-(2-chloro-5-methylphenyl)-6-ethoxybenzamide
CID 107624071
N-(2-ethoxy-4-methylphenyl)-2-hydroxy-3-methylbenzamide
CID 112846294
N-(4-amino-2,5-diethoxyphenyl)-2-methoxybenzamide
CID 23464291
2-ethoxy-N-(2-methoxy-5-methylphenyl)pyridine-3-carboxamide
CID 7962641
N-(2,5-diethoxyphenyl)-2-ethoxybenzamide
CID 43000684
3-amino-N-[2-[(2S)-butan-2-yl]phenyl]-2-methylbenzamide
CID 97030400
3-amino-N-(2-butan-2-ylphenyl)-2-methylbenzamide
CID 83775668
2-amino-5-chloro-N-(2-ethoxy-4-methylphenyl)benzamide
CID 61104309
3-amino-2-methyl-N-(2,4,5-trichlorophenyl)benzamide
CID 23464406

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-ethoxy-5-methylphenyl)-2-methylbenzamide?
The IUPAC name of 3-amino-N-(2-ethoxy-5-methylphenyl)-2-methylbenzamide (CID 91684333) is 3-amino-N-(2-ethoxy-5-methylphenyl)-2-methylbenzamide.
What is the SMILES notation for 3-amino-N-(2-ethoxy-5-methylphenyl)-2-methylbenzamide?
The canonical SMILES for 3-amino-N-(2-ethoxy-5-methylphenyl)-2-methylbenzamide is CCOc1ccc(C)cc1NC(=O)c1cccc(N)c1C.
What is the InChIKey of 3-amino-N-(2-ethoxy-5-methylphenyl)-2-methylbenzamide?
The InChIKey is LWKXNJRJGFHPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-4-21-16-9-8-11(2)10-15(16)19-17(20)13-6-5-7-14(18)12(13)3/h5-10H,4,18H2,1-3H3,(H,19,20).
What are the key properties of 3-amino-N-(2-ethoxy-5-methylphenyl)-2-methylbenzamide?
3-amino-N-(2-ethoxy-5-methylphenyl)-2-methylbenzamide has a molecular weight of 284.36 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-ethoxy-5-methylphenyl)-2-methylbenzamide is sourced from PubChem (CID 91684333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).