N-(3-aminobutyl)-2-(4-butylphenyl)acetamide;hydrochloride

C16H27ClN2O — CID 119499301

IUPACN-(3-aminobutyl)-2-(4-butylphenyl)acetamide;hydrochloride
SMILESCCCCc1ccc(CC(=O)NCCC(C)N)cc1.Cl
InChIInChI=1S/C16H26N2O.ClH/c1-3-4-5-14-6-8-15(9-7-14)12-16(19)18-11-10-13(2)17;/h6-9,13H,3-5,10-12,17H2,1-2H3,(H,18,19);1H
InChIKeyALHQMQJWVNFAFI-UHFFFAOYSA-N
MW298.86 g/mol
LogP2.85
Rot. Bonds8

About N-(3-aminobutyl)-2-(4-butylphenyl)acetamide;hydrochloride

N-(3-aminobutyl)-2-(4-butylphenyl)acetamide;hydrochloride (PubChem CID 119499301) has the molecular formula C16H27ClN2O and a molecular weight of 298.86 g/mol. Its IUPAC name is N-(3-aminobutyl)-2-(4-butylphenyl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminobutyl)-2-(4-butylphenyl)acetamide;hydrochloride
PubChem CID119499301
Molecular FormulaC16H27ClN2O
Molecular Weight298.86 g/mol
Exact Mass298.18
IUPAC NameN-(3-aminobutyl)-2-(4-butylphenyl)acetamide;hydrochloride
SMILESCCCCc1ccc(CC(=O)NCCC(C)N)cc1.Cl
InChIInChI=1S/C16H26N2O.ClH/c1-3-4-5-14-6-8-15(9-7-14)12-16(19)18-11-10-13(2)17;/h6-9,13H,3-5,10-12,17H2,1-2H3,(H,18,19);1H
InChIKeyALHQMQJWVNFAFI-UHFFFAOYSA-N
XLogP2.85
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.86
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-butylphenyl)-N-(2-methylpropyl)acetamide
CID 60656279
N-(3-aminobutyl)-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119497448
2-(4-butylphenyl)-N-(4-hydroxybutyl)acetamide
CID 106843310
N-(3-aminobutyl)-3-(4-bromophenyl)propanamide;hydrochloride
CID 119498486
N-(3-aminobutyl)-6-(4-methoxyphenyl)hexanamide;hydrochloride
CID 119496458
N-(3-aminobutyl)-3-(4-propoxyphenyl)propanamide;hydrochloride
CID 119497823
3-[[2-(4-butylphenyl)acetyl]amino]-2-methylpropanoic acid
CID 62674607
2-(4-butylphenyl)-N-(3-hydroxy-2-methylpropyl)acetamide
CID 65037146
N-(3-aminobutyl)-2-[4-(2-methylpropoxy)phenyl]acetamide
CID 119496509
N-(3-aminobutyl)-3-(4-methoxyphenyl)propanamide;hydrochloride
CID 119498019
methyl 3-[[2-(4-butylphenyl)acetyl]amino]-2-hydroxypropanoate
CID 103879388
N-(3-aminobutyl)-2-(2-hydroxyphenyl)acetamide
CID 80741503

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-2-(4-butylphenyl)acetamide;hydrochloride?
The IUPAC name of N-(3-aminobutyl)-2-(4-butylphenyl)acetamide;hydrochloride (CID 119499301) is N-(3-aminobutyl)-2-(4-butylphenyl)acetamide;hydrochloride.
What is the SMILES notation for N-(3-aminobutyl)-2-(4-butylphenyl)acetamide;hydrochloride?
The canonical SMILES for N-(3-aminobutyl)-2-(4-butylphenyl)acetamide;hydrochloride is CCCCc1ccc(CC(=O)NCCC(C)N)cc1.Cl.
What is the InChIKey of N-(3-aminobutyl)-2-(4-butylphenyl)acetamide;hydrochloride?
The InChIKey is ALHQMQJWVNFAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O.ClH/c1-3-4-5-14-6-8-15(9-7-14)12-16(19)18-11-10-13(2)17;/h6-9,13H,3-5,10-12,17H2,1-2H3,(H,18,19);1H.
What are the key properties of N-(3-aminobutyl)-2-(4-butylphenyl)acetamide;hydrochloride?
N-(3-aminobutyl)-2-(4-butylphenyl)acetamide;hydrochloride has a molecular weight of 298.86 g/mol, XLogP of 2.85, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-2-(4-butylphenyl)acetamide;hydrochloride is sourced from PubChem (CID 119499301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).