3-amino-N-[2-(4-butoxyphenyl)ethyl]propanamide;hydrochloride

C15H25ClN2O2 — CID 119284641

IUPAC3-amino-N-[2-(4-butoxyphenyl)ethyl]propanamide;hydrochloride
SMILESCCCCOc1ccc(CCNC(=O)CCN)cc1.Cl
InChIInChI=1S/C15H24N2O2.ClH/c1-2-3-12-19-14-6-4-13(5-7-14)9-11-17-15(18)8-10-16;/h4-7H,2-3,8-12,16H2,1H3,(H,17,18);1H
InChIKeyOSLDTMLSAYRLFE-UHFFFAOYSA-N
MW300.83 g/mol
LogP2.29
Rot. Bonds9

About 3-amino-N-[2-(4-butoxyphenyl)ethyl]propanamide;hydrochloride

3-amino-N-[2-(4-butoxyphenyl)ethyl]propanamide;hydrochloride (PubChem CID 119284641) has the molecular formula C15H25ClN2O2 and a molecular weight of 300.83 g/mol. Its IUPAC name is 3-amino-N-[2-(4-butoxyphenyl)ethyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(4-butoxyphenyl)ethyl]propanamide;hydrochloride
PubChem CID119284641
Molecular FormulaC15H25ClN2O2
Molecular Weight300.83 g/mol
Exact Mass300.16
IUPAC Name3-amino-N-[2-(4-butoxyphenyl)ethyl]propanamide;hydrochloride
SMILESCCCCOc1ccc(CCNC(=O)CCN)cc1.Cl
InChIInChI=1S/C15H24N2O2.ClH/c1-2-3-12-19-14-6-4-13(5-7-14)9-11-17-15(18)8-10-16;/h4-7H,2-3,8-12,16H2,1H3,(H,17,18);1H
InChIKeyOSLDTMLSAYRLFE-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(aminomethyl)-N-[2-(4-butoxyphenyl)ethyl]benzamide;hydrochloride
CID 119284651
3-amino-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]propanamide;hydrochloride
CID 119288366
N-(3-aminopropyl)-3-(4-ethylphenoxy)propanamide
CID 110834162
N-(2-aminoethyl)-2-(4-pentoxyphenoxy)acetamide
CID 102457395
N-[2-(methylamino)ethyl]-3-(4-propoxyphenyl)propanamide
CID 119502671
N-(2-aminoethyl)-4-(4-ethoxyphenoxy)butanamide
CID 119382448
3-amino-N-[2-(4-fluorophenoxy)ethyl]propanamide;hydrochloride
CID 119287036
4-[2-(3-butoxyphenyl)ethylamino]-4-oxobutanoic acid
CID 22682317
4-butoxy-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide
CID 29263738
N-[2-(4-aminophenyl)ethyl]-5-(4-bromophenoxy)pentanamide;hydrochloride
CID 119547618
N-(3-aminobutyl)-3-(4-propoxyphenyl)propanamide;hydrochloride
CID 119497823
N-decyl-3-(4-ethylphenoxy)propanamide
CID 108795844

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(4-butoxyphenyl)ethyl]propanamide;hydrochloride?
The IUPAC name of 3-amino-N-[2-(4-butoxyphenyl)ethyl]propanamide;hydrochloride (CID 119284641) is 3-amino-N-[2-(4-butoxyphenyl)ethyl]propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[2-(4-butoxyphenyl)ethyl]propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[2-(4-butoxyphenyl)ethyl]propanamide;hydrochloride is CCCCOc1ccc(CCNC(=O)CCN)cc1.Cl.
What is the InChIKey of 3-amino-N-[2-(4-butoxyphenyl)ethyl]propanamide;hydrochloride?
The InChIKey is OSLDTMLSAYRLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2.ClH/c1-2-3-12-19-14-6-4-13(5-7-14)9-11-17-15(18)8-10-16;/h4-7H,2-3,8-12,16H2,1H3,(H,17,18);1H.
What are the key properties of 3-amino-N-[2-(4-butoxyphenyl)ethyl]propanamide;hydrochloride?
3-amino-N-[2-(4-butoxyphenyl)ethyl]propanamide;hydrochloride has a molecular weight of 300.83 g/mol, XLogP of 2.29, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(4-butoxyphenyl)ethyl]propanamide;hydrochloride is sourced from PubChem (CID 119284641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).