3-[acetyl(3-methoxypropyl)amino]-N-(2-ethylphenyl)propanamide

C17H26N2O3 — CID 113117158

IUPAC3-[acetyl(3-methoxypropyl)amino]-N-(2-ethylphenyl)propanamide
SMILESCCc1ccccc1NC(=O)CCN(CCCOC)C(C)=O
InChIInChI=1S/C17H26N2O3/c1-4-15-8-5-6-9-16(15)18-17(21)10-12-19(14(2)20)11-7-13-22-3/h5-6,8-9H,4,7,10-13H2,1-3H3,(H,18,21)
InChIKeyICTMCSPYJCXHSO-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.46
Rot. Bonds9

About 3-[acetyl(3-methoxypropyl)amino]-N-(2-ethylphenyl)propanamide

3-[acetyl(3-methoxypropyl)amino]-N-(2-ethylphenyl)propanamide (PubChem CID 113117158) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 3-[acetyl(3-methoxypropyl)amino]-N-(2-ethylphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(3-methoxypropyl)amino]-N-(2-ethylphenyl)propanamide
PubChem CID113117158
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name3-[acetyl(3-methoxypropyl)amino]-N-(2-ethylphenyl)propanamide
SMILESCCc1ccccc1NC(=O)CCN(CCCOC)C(C)=O
InChIInChI=1S/C17H26N2O3/c1-4-15-8-5-6-9-16(15)18-17(21)10-12-19(14(2)20)11-7-13-22-3/h5-6,8-9H,4,7,10-13H2,1-3H3,(H,18,21)
InChIKeyICTMCSPYJCXHSO-UHFFFAOYSA-N
XLogP2.46
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[acetyl(3-methoxypropyl)amino]-N-(2,6-diethylphenyl)propanamide
CID 113117165
3-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2-ethylphenyl)propanamide
CID 113117893
methyl 2-[3-[acetyl(3-methoxypropyl)amino]propanoylamino]benzoate
CID 113117202
3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2-ethylphenyl)propanamide
CID 113117546
3-[acetyl(2-methoxyethyl)amino]-N-(2-ethoxyphenyl)propanamide
CID 113117001
3-[acetyl(3-methoxypropyl)amino]-N-(2,4-dichlorophenyl)propanamide
CID 113117231
3-[acetyl(butyl)amino]-N-(2-chlorophenyl)propanamide
CID 113115826
3-[acetyl(propyl)amino]-N-(2-methoxyphenyl)propanamide
CID 113115042
3-(N-acetyl-2-methoxyanilino)-N-(2-ethylphenyl)propanamide
CID 113128790
3-[acetyl(3-methoxypropyl)amino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 113117197
3-[acetyl(3-methoxypropyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 113117237
3-[acetyl(3-methoxypropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 113117245

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(3-methoxypropyl)amino]-N-(2-ethylphenyl)propanamide?
The IUPAC name of 3-[acetyl(3-methoxypropyl)amino]-N-(2-ethylphenyl)propanamide (CID 113117158) is 3-[acetyl(3-methoxypropyl)amino]-N-(2-ethylphenyl)propanamide.
What is the SMILES notation for 3-[acetyl(3-methoxypropyl)amino]-N-(2-ethylphenyl)propanamide?
The canonical SMILES for 3-[acetyl(3-methoxypropyl)amino]-N-(2-ethylphenyl)propanamide is CCc1ccccc1NC(=O)CCN(CCCOC)C(C)=O.
What is the InChIKey of 3-[acetyl(3-methoxypropyl)amino]-N-(2-ethylphenyl)propanamide?
The InChIKey is ICTMCSPYJCXHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-4-15-8-5-6-9-16(15)18-17(21)10-12-19(14(2)20)11-7-13-22-3/h5-6,8-9H,4,7,10-13H2,1-3H3,(H,18,21).
What are the key properties of 3-[acetyl(3-methoxypropyl)amino]-N-(2-ethylphenyl)propanamide?
3-[acetyl(3-methoxypropyl)amino]-N-(2-ethylphenyl)propanamide has a molecular weight of 306.41 g/mol, XLogP of 2.46, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(3-methoxypropyl)amino]-N-(2-ethylphenyl)propanamide is sourced from PubChem (CID 113117158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).