3-(2-aminophenyl)-N-(4-ethoxybutyl)propanamide;hydrochloride

C15H25ClN2O2 — CID 120609020

IUPAC3-(2-aminophenyl)-N-(4-ethoxybutyl)propanamide;hydrochloride
SMILESCCOCCCCNC(=O)CCc1ccccc1N.Cl
InChIInChI=1S/C15H24N2O2.ClH/c1-2-19-12-6-5-11-17-15(18)10-9-13-7-3-4-8-14(13)16;/h3-4,7-8H,2,5-6,9-12,16H2,1H3,(H,17,18);1H
InChIKeyDNXZXPSOLKZCFM-UHFFFAOYSA-N
MW300.83 g/mol
LogP2.56
Rot. Bonds9

About 3-(2-aminophenyl)-N-(4-ethoxybutyl)propanamide;hydrochloride

3-(2-aminophenyl)-N-(4-ethoxybutyl)propanamide;hydrochloride (PubChem CID 120609020) has the molecular formula C15H25ClN2O2 and a molecular weight of 300.83 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-(4-ethoxybutyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-(4-ethoxybutyl)propanamide;hydrochloride
PubChem CID120609020
Molecular FormulaC15H25ClN2O2
Molecular Weight300.83 g/mol
Exact Mass300.16
IUPAC Name3-(2-aminophenyl)-N-(4-ethoxybutyl)propanamide;hydrochloride
SMILESCCOCCCCNC(=O)CCc1ccccc1N.Cl
InChIInChI=1S/C15H24N2O2.ClH/c1-2-19-12-6-5-11-17-15(18)10-9-13-7-3-4-8-14(13)16;/h3-4,7-8H,2,5-6,9-12,16H2,1H3,(H,17,18);1H
InChIKeyDNXZXPSOLKZCFM-UHFFFAOYSA-N
XLogP2.56
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 52.56
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'}

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Related Compounds

N-(3-acetamidopropyl)-3-(2-aminophenyl)propanamide;hydrochloride
CID 120609121
3-(2-aminophenyl)-N-(3-phenoxypropyl)propanamide;hydrochloride
CID 120608352
3-(2-aminophenyl)-N-(3-propan-2-yloxypropyl)propanamide
CID 107272988
N-(2-acetamidoethyl)-3-(2-aminophenyl)propanamide;hydrochloride
CID 120608123
3-(2-aminophenyl)-N-(5-phenylpentyl)propanamide
CID 120610401
3-(2-aminophenyl)-N-[3-(dimethylamino)-3-oxopropyl]propanamide;hydrochloride
CID 120609267
3-(2-aminophenyl)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]propanamide
CID 120611837
3-(2-aminophenyl)-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide;hydrochloride
CID 120608330
4-[3-(2-aminophenyl)propanoylamino]-N-cyclopropylbutanamide;hydrochloride
CID 120609190
3-(2-aminophenyl)-N-[3-(1-phenylethoxy)propyl]propanamide
CID 120608327
3-(2-aminophenyl)-N-[3-(methanesulfonamido)propyl]propanamide
CID 107329565
3-(2-aminophenyl)-N-[[2-(propoxymethyl)phenyl]methyl]propanamide;hydrochloride
CID 120609340

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-(4-ethoxybutyl)propanamide;hydrochloride?
The IUPAC name of 3-(2-aminophenyl)-N-(4-ethoxybutyl)propanamide;hydrochloride (CID 120609020) is 3-(2-aminophenyl)-N-(4-ethoxybutyl)propanamide;hydrochloride.
What is the SMILES notation for 3-(2-aminophenyl)-N-(4-ethoxybutyl)propanamide;hydrochloride?
The canonical SMILES for 3-(2-aminophenyl)-N-(4-ethoxybutyl)propanamide;hydrochloride is CCOCCCCNC(=O)CCc1ccccc1N.Cl.
What is the InChIKey of 3-(2-aminophenyl)-N-(4-ethoxybutyl)propanamide;hydrochloride?
The InChIKey is DNXZXPSOLKZCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2.ClH/c1-2-19-12-6-5-11-17-15(18)10-9-13-7-3-4-8-14(13)16;/h3-4,7-8H,2,5-6,9-12,16H2,1H3,(H,17,18);1H.
What are the key properties of 3-(2-aminophenyl)-N-(4-ethoxybutyl)propanamide;hydrochloride?
3-(2-aminophenyl)-N-(4-ethoxybutyl)propanamide;hydrochloride has a molecular weight of 300.83 g/mol, XLogP of 2.56, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-(4-ethoxybutyl)propanamide;hydrochloride is sourced from PubChem (CID 120609020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).