N-(3-aminobutyl)-3-(2-methoxyphenyl)butanamide;hydrochloride

C15H25ClN2O2 — CID 119495811

IUPACN-(3-aminobutyl)-3-(2-methoxyphenyl)butanamide;hydrochloride
SMILESCOc1ccccc1C(C)CC(=O)NCCC(C)N.Cl
InChIInChI=1S/C15H24N2O2.ClH/c1-11(10-15(18)17-9-8-12(2)16)13-6-4-5-7-14(13)19-3;/h4-7,11-12H,8-10,16H2,1-3H3,(H,17,18);1H
InChIKeyJQJQUOYGTITPHN-UHFFFAOYSA-N
MW300.83 g/mol
LogP2.46
Rot. Bonds7

About N-(3-aminobutyl)-3-(2-methoxyphenyl)butanamide;hydrochloride

N-(3-aminobutyl)-3-(2-methoxyphenyl)butanamide;hydrochloride (PubChem CID 119495811) has the molecular formula C15H25ClN2O2 and a molecular weight of 300.83 g/mol. Its IUPAC name is N-(3-aminobutyl)-3-(2-methoxyphenyl)butanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminobutyl)-3-(2-methoxyphenyl)butanamide;hydrochloride
PubChem CID119495811
Molecular FormulaC15H25ClN2O2
Molecular Weight300.83 g/mol
Exact Mass300.16
IUPAC NameN-(3-aminobutyl)-3-(2-methoxyphenyl)butanamide;hydrochloride
SMILESCOc1ccccc1C(C)CC(=O)NCCC(C)N.Cl
InChIInChI=1S/C15H24N2O2.ClH/c1-11(10-15(18)17-9-8-12(2)16)13-6-4-5-7-14(13)19-3;/h4-7,11-12H,8-10,16H2,1-3H3,(H,17,18);1H
InChIKeyJQJQUOYGTITPHN-UHFFFAOYSA-N
XLogP2.46
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-3-(2-methoxyphenyl)butanamide
CID 119382744
N-[2-(4-aminophenyl)ethyl]-3-(2-methoxyphenyl)butanamide;hydrochloride
CID 119547903
N-(3-aminobutyl)-2-(2-methoxyphenyl)acetamide;hydrochloride
CID 75369473
N-(3-aminobutyl)-3-(2-fluorophenyl)butanamide
CID 119499708
N-(3-aminobutyl)-2-(2-methoxyphenoxy)acetamide;hydrochloride
CID 119494768
N-(3-aminobutyl)-3-phenylbutanamide
CID 119496736
N-[2-(cycloheptylamino)ethyl]-3-(2-methoxyphenyl)butanamide
CID 119619663
3-(2-methoxyphenyl)-N-(2-piperazin-1-ylethyl)butanamide
CID 119445732
N-(3-aminobutyl)-3-(carbamoylamino)-3-(2-methylphenyl)propanamide;hydrochloride
CID 119495043
(3S)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]oxy-3-(2-methoxyphenyl)butanamide
CID 125420173
4-amino-N-[2-hydroxy-2-(2-methoxyphenyl)ethyl]pentanamide
CID 120560553
N-(3-amino-4-methylpentyl)-3-(2-methoxyphenyl)-N-methylbutanamide;hydrochloride
CID 119658162

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-3-(2-methoxyphenyl)butanamide;hydrochloride?
The IUPAC name of N-(3-aminobutyl)-3-(2-methoxyphenyl)butanamide;hydrochloride (CID 119495811) is N-(3-aminobutyl)-3-(2-methoxyphenyl)butanamide;hydrochloride.
What is the SMILES notation for N-(3-aminobutyl)-3-(2-methoxyphenyl)butanamide;hydrochloride?
The canonical SMILES for N-(3-aminobutyl)-3-(2-methoxyphenyl)butanamide;hydrochloride is COc1ccccc1C(C)CC(=O)NCCC(C)N.Cl.
What is the InChIKey of N-(3-aminobutyl)-3-(2-methoxyphenyl)butanamide;hydrochloride?
The InChIKey is JQJQUOYGTITPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2.ClH/c1-11(10-15(18)17-9-8-12(2)16)13-6-4-5-7-14(13)19-3;/h4-7,11-12H,8-10,16H2,1-3H3,(H,17,18);1H.
What are the key properties of N-(3-aminobutyl)-3-(2-methoxyphenyl)butanamide;hydrochloride?
N-(3-aminobutyl)-3-(2-methoxyphenyl)butanamide;hydrochloride has a molecular weight of 300.83 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-3-(2-methoxyphenyl)butanamide;hydrochloride is sourced from PubChem (CID 119495811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).