3-amino-4-ethoxy-N-octan-2-ylbenzamide

C17H28N2O2 — CID 61476185

IUPAC3-amino-4-ethoxy-N-octan-2-ylbenzamide
SMILESCCCCCCC(C)NC(=O)c1ccc(OCC)c(N)c1
InChIInChI=1S/C17H28N2O2/c1-4-6-7-8-9-13(3)19-17(20)14-10-11-16(21-5-2)15(18)12-14/h10-13H,4-9,18H2,1-3H3,(H,19,20)
InChIKeyCZSGFQFQQITRQC-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.76
Rot. Bonds9

About 3-amino-4-ethoxy-N-octan-2-ylbenzamide

3-amino-4-ethoxy-N-octan-2-ylbenzamide (PubChem CID 61476185) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 3-amino-4-ethoxy-N-octan-2-ylbenzamide.

Molecular Properties

Compound Name3-amino-4-ethoxy-N-octan-2-ylbenzamide
PubChem CID61476185
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name3-amino-4-ethoxy-N-octan-2-ylbenzamide
SMILESCCCCCCC(C)NC(=O)c1ccc(OCC)c(N)c1
InChIInChI=1S/C17H28N2O2/c1-4-6-7-8-9-13(3)19-17(20)14-10-11-16(21-5-2)15(18)12-14/h10-13H,4-9,18H2,1-3H3,(H,19,20)
InChIKeyCZSGFQFQQITRQC-UHFFFAOYSA-N
XLogP3.76
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-4-ethoxy-N-octan-2-ylbenzamide 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

3-amino-4-ethoxy-N-(1-methylsulfonylpropan-2-yl)benzamide
CID 64628978
ethyl 2-[(3-amino-4-ethoxybenzoyl)amino]propanoate
CID 61498178
3-amino-4-ethoxy-N-hexylbenzamide
CID 61112297
methyl 2-[(3-amino-4-ethoxybenzoyl)amino]-3-methylbutanoate
CID 61095584
3-amino-4-ethoxy-N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 61126328
3-amino-4-ethoxy-N-(1-hydroxybutan-2-yl)benzamide
CID 61094806
3-amino-4-ethoxy-N-(1-thiophen-3-ylpropan-2-yl)benzamide
CID 61471915
3-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-ethoxybenzamide
CID 61476191
3-amino-N-[(2S)-butan-2-yl]-4-methoxybenzamide
CID 28690052
3-amino-4-ethoxy-N-(1-thiophen-2-ylethyl)benzamide
CID 61093835
3,4-diethoxy-N-(1-hydroxypropan-2-yl)benzamide
CID 43418840
2-amino-N-hexan-2-ylpyridine-4-carboxamide
CID 62201408

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-ethoxy-N-octan-2-ylbenzamide?
The IUPAC name of 3-amino-4-ethoxy-N-octan-2-ylbenzamide (CID 61476185) is 3-amino-4-ethoxy-N-octan-2-ylbenzamide.
What is the SMILES notation for 3-amino-4-ethoxy-N-octan-2-ylbenzamide?
The canonical SMILES for 3-amino-4-ethoxy-N-octan-2-ylbenzamide is CCCCCCC(C)NC(=O)c1ccc(OCC)c(N)c1.
What is the InChIKey of 3-amino-4-ethoxy-N-octan-2-ylbenzamide?
The InChIKey is CZSGFQFQQITRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-4-6-7-8-9-13(3)19-17(20)14-10-11-16(21-5-2)15(18)12-14/h10-13H,4-9,18H2,1-3H3,(H,19,20).
What are the key properties of 3-amino-4-ethoxy-N-octan-2-ylbenzamide?
3-amino-4-ethoxy-N-octan-2-ylbenzamide has a molecular weight of 292.42 g/mol, XLogP of 3.76, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-ethoxy-N-octan-2-ylbenzamide is sourced from PubChem (CID 61476185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).