N-(3-aminobutyl)-3-(4-propoxyphenyl)propanamide;hydrochloride

C16H27ClN2O2 — CID 119497823

IUPACN-(3-aminobutyl)-3-(4-propoxyphenyl)propanamide;hydrochloride
SMILESCCCOc1ccc(CCC(=O)NCCC(C)N)cc1.Cl
InChIInChI=1S/C16H26N2O2.ClH/c1-3-12-20-15-7-4-14(5-8-15)6-9-16(19)18-11-10-13(2)17;/h4-5,7-8,13H,3,6,9-12,17H2,1-2H3,(H,18,19);1H
InChIKeyLFKNTWJDCUEDKR-UHFFFAOYSA-N
MW314.86 g/mol
LogP2.68
Rot. Bonds9

About N-(3-aminobutyl)-3-(4-propoxyphenyl)propanamide;hydrochloride

N-(3-aminobutyl)-3-(4-propoxyphenyl)propanamide;hydrochloride (PubChem CID 119497823) has the molecular formula C16H27ClN2O2 and a molecular weight of 314.86 g/mol. Its IUPAC name is N-(3-aminobutyl)-3-(4-propoxyphenyl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminobutyl)-3-(4-propoxyphenyl)propanamide;hydrochloride
PubChem CID119497823
Molecular FormulaC16H27ClN2O2
Molecular Weight314.86 g/mol
Exact Mass314.18
IUPAC NameN-(3-aminobutyl)-3-(4-propoxyphenyl)propanamide;hydrochloride
SMILESCCCOc1ccc(CCC(=O)NCCC(C)N)cc1.Cl
InChIInChI=1S/C16H26N2O2.ClH/c1-3-12-20-15-7-4-14(5-8-15)6-9-16(19)18-11-10-13(2)17;/h4-5,7-8,13H,3,6,9-12,17H2,1-2H3,(H,18,19);1H
InChIKeyLFKNTWJDCUEDKR-UHFFFAOYSA-N
XLogP2.68
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.86
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminobutyl)-3-(4-methoxyphenyl)propanamide;hydrochloride
CID 119498019
N-[2-(methylamino)ethyl]-3-(4-propoxyphenyl)propanamide
CID 119502671
N-(3-aminobutyl)-3-(4-bromophenyl)propanamide;hydrochloride
CID 119498486
N-(2-aminopropyl)-3-(4-ethoxyphenyl)propanamide
CID 110833167
N-(3-aminobutyl)-6-(4-methoxyphenyl)hexanamide;hydrochloride
CID 119496458
4-amino-N-(3-phenoxypropyl)pentanamide;hydrochloride
CID 120559424
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-propoxyphenyl)propanamide;hydrochloride
CID 119607652
3-amino-N-[2-(4-butoxyphenyl)ethyl]propanamide;hydrochloride
CID 119284641
N-(3-aminobutyl)-2-(4-butylphenyl)acetamide;hydrochloride
CID 119499301
N-(3-amino-4-methylpentyl)-N-methyl-3-(4-propoxyphenyl)propanamide;hydrochloride
CID 119659796
N-(3-aminobutyl)-2-(4-chlorophenoxy)acetamide;hydrochloride
CID 119497323
N-(3-aminobutyl)-2-[4-(2-methylpropoxy)phenyl]acetamide
CID 119496509

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-3-(4-propoxyphenyl)propanamide;hydrochloride?
The IUPAC name of N-(3-aminobutyl)-3-(4-propoxyphenyl)propanamide;hydrochloride (CID 119497823) is N-(3-aminobutyl)-3-(4-propoxyphenyl)propanamide;hydrochloride.
What is the SMILES notation for N-(3-aminobutyl)-3-(4-propoxyphenyl)propanamide;hydrochloride?
The canonical SMILES for N-(3-aminobutyl)-3-(4-propoxyphenyl)propanamide;hydrochloride is CCCOc1ccc(CCC(=O)NCCC(C)N)cc1.Cl.
What is the InChIKey of N-(3-aminobutyl)-3-(4-propoxyphenyl)propanamide;hydrochloride?
The InChIKey is LFKNTWJDCUEDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2.ClH/c1-3-12-20-15-7-4-14(5-8-15)6-9-16(19)18-11-10-13(2)17;/h4-5,7-8,13H,3,6,9-12,17H2,1-2H3,(H,18,19);1H.
What are the key properties of N-(3-aminobutyl)-3-(4-propoxyphenyl)propanamide;hydrochloride?
N-(3-aminobutyl)-3-(4-propoxyphenyl)propanamide;hydrochloride has a molecular weight of 314.86 g/mol, XLogP of 2.68, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-3-(4-propoxyphenyl)propanamide;hydrochloride is sourced from PubChem (CID 119497823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).