N-(3-aminobutyl)-3-(4-ethylphenyl)butanamide;hydrochloride

C16H27ClN2O — CID 119495877

IUPACN-(3-aminobutyl)-3-(4-ethylphenyl)butanamide;hydrochloride
SMILESCCc1ccc(C(C)CC(=O)NCCC(C)N)cc1.Cl
InChIInChI=1S/C16H26N2O.ClH/c1-4-14-5-7-15(8-6-14)12(2)11-16(19)18-10-9-13(3)17;/h5-8,12-13H,4,9-11,17H2,1-3H3,(H,18,19);1H
InChIKeyRAMFLPJCIUQOLA-UHFFFAOYSA-N
MW298.86 g/mol
LogP3.02
Rot. Bonds7

About N-(3-aminobutyl)-3-(4-ethylphenyl)butanamide;hydrochloride

N-(3-aminobutyl)-3-(4-ethylphenyl)butanamide;hydrochloride (PubChem CID 119495877) has the molecular formula C16H27ClN2O and a molecular weight of 298.86 g/mol. Its IUPAC name is N-(3-aminobutyl)-3-(4-ethylphenyl)butanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminobutyl)-3-(4-ethylphenyl)butanamide;hydrochloride
PubChem CID119495877
Molecular FormulaC16H27ClN2O
Molecular Weight298.86 g/mol
Exact Mass298.18
IUPAC NameN-(3-aminobutyl)-3-(4-ethylphenyl)butanamide;hydrochloride
SMILESCCc1ccc(C(C)CC(=O)NCCC(C)N)cc1.Cl
InChIInChI=1S/C16H26N2O.ClH/c1-4-14-5-7-15(8-6-14)12(2)11-16(19)18-10-9-13(3)17;/h5-8,12-13H,4,9-11,17H2,1-3H3,(H,18,19);1H
InChIKeyRAMFLPJCIUQOLA-UHFFFAOYSA-N
XLogP3.02
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.86
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-aminobutyl)-3-phenylbutanamide
CID 119496736
(3R)-N-(3,3-diphenylpropyl)-3-phenylbutanamide
CID 40629946
(3S)-N-(3,3-diphenylpropyl)-3-phenylbutanamide
CID 8012205
N-(3-aminobutyl)-3-benzyl-4-phenylbutanamide;hydrochloride
CID 119497857
N-(3-aminobutyl)-3-(2-methoxyphenyl)butanamide;hydrochloride
CID 119495811
(2S)-2-[3-(4-ethylphenyl)butanoylamino]propanoic acid
CID 119942975
2-[3-(4-ethylphenyl)butanoylamino]propanoic acid
CID 119349149
N-(3-aminobutyl)-3-(2-fluorophenyl)butanamide
CID 119499708
N-(3-aminobutyl)-2-(4-butylphenyl)acetamide;hydrochloride
CID 119499301
N-(3-aminobutyl)-3-ethylpentanamide
CID 119496661
3-acetamido-N-(3-aminobutyl)-3-(4-methylphenyl)propanamide
CID 119498760
ethyl 3-[3-(4-aminophenyl)butanoylamino]propanoate
CID 104502527

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-3-(4-ethylphenyl)butanamide;hydrochloride?
The IUPAC name of N-(3-aminobutyl)-3-(4-ethylphenyl)butanamide;hydrochloride (CID 119495877) is N-(3-aminobutyl)-3-(4-ethylphenyl)butanamide;hydrochloride.
What is the SMILES notation for N-(3-aminobutyl)-3-(4-ethylphenyl)butanamide;hydrochloride?
The canonical SMILES for N-(3-aminobutyl)-3-(4-ethylphenyl)butanamide;hydrochloride is CCc1ccc(C(C)CC(=O)NCCC(C)N)cc1.Cl.
What is the InChIKey of N-(3-aminobutyl)-3-(4-ethylphenyl)butanamide;hydrochloride?
The InChIKey is RAMFLPJCIUQOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O.ClH/c1-4-14-5-7-15(8-6-14)12(2)11-16(19)18-10-9-13(3)17;/h5-8,12-13H,4,9-11,17H2,1-3H3,(H,18,19);1H.
What are the key properties of N-(3-aminobutyl)-3-(4-ethylphenyl)butanamide;hydrochloride?
N-(3-aminobutyl)-3-(4-ethylphenyl)butanamide;hydrochloride has a molecular weight of 298.86 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-3-(4-ethylphenyl)butanamide;hydrochloride is sourced from PubChem (CID 119495877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).