N-(3-aminobutyl)-3-(3-methylphenoxy)propanamide;hydrochloride

C14H23ClN2O2 — CID 119497343

IUPACN-(3-aminobutyl)-3-(3-methylphenoxy)propanamide;hydrochloride
SMILESCc1cccc(OCCC(=O)NCCC(C)N)c1.Cl
InChIInChI=1S/C14H22N2O2.ClH/c1-11-4-3-5-13(10-11)18-9-7-14(17)16-8-6-12(2)15;/h3-5,10,12H,6-9,15H2,1-2H3,(H,16,17);1H
InChIKeyNACHPRDXRHCKIB-UHFFFAOYSA-N
MW286.80 g/mol
LogP2.04
Rot. Bonds7

About N-(3-aminobutyl)-3-(3-methylphenoxy)propanamide;hydrochloride

N-(3-aminobutyl)-3-(3-methylphenoxy)propanamide;hydrochloride (PubChem CID 119497343) has the molecular formula C14H23ClN2O2 and a molecular weight of 286.80 g/mol. Its IUPAC name is N-(3-aminobutyl)-3-(3-methylphenoxy)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminobutyl)-3-(3-methylphenoxy)propanamide;hydrochloride
PubChem CID119497343
Molecular FormulaC14H23ClN2O2
Molecular Weight286.80 g/mol
Exact Mass286.14
IUPAC NameN-(3-aminobutyl)-3-(3-methylphenoxy)propanamide;hydrochloride
SMILESCc1cccc(OCCC(=O)NCCC(C)N)c1.Cl
InChIInChI=1S/C14H22N2O2.ClH/c1-11-4-3-5-13(10-11)18-9-7-14(17)16-8-6-12(2)15;/h3-5,10,12H,6-9,15H2,1-2H3,(H,16,17);1H
InChIKeyNACHPRDXRHCKIB-UHFFFAOYSA-N
XLogP2.04
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.80
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminobutyl)-2-(3-methylphenoxy)acetamide;hydrochloride
CID 119497988
N-[2-(methylamino)ethyl]-3-(3-methylphenoxy)propanamide
CID 62659653
N-(3-aminobutyl)-3-(2,4-dimethylphenoxy)propanamide;hydrochloride
CID 119497520
N-[2-(2-aminoethoxy)ethyl]-3-(3-methylphenoxy)propanamide
CID 63755365
N-ethyl-3-(3-methylphenoxy)propanamide
CID 2129235
N-(3-aminobutyl)-3-(3-methylphenyl)propanamide;hydrochloride
CID 119494888
4-amino-N-(3-phenoxypropyl)pentanamide;hydrochloride
CID 120559424
4-amino-N-[2-(3,5-dimethylphenoxy)ethyl]pentanamide;hydrochloride
CID 120561157
N-[(2S)-1-aminopropan-2-yl]-3-(3-methylphenoxy)propanamide;hydrochloride
CID 120508578
N-[2-(2-hydroxyethoxy)ethyl]-3-(3-methylphenoxy)propanamide
CID 55023975
N-(4-chloro-2-methylbutyl)-3-(3-methylphenoxy)propanamide
CID 113273658
N-(3-bromo-2-methylpropyl)-3-(3-methylphenoxy)propanamide
CID 113275332

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-3-(3-methylphenoxy)propanamide;hydrochloride?
The IUPAC name of N-(3-aminobutyl)-3-(3-methylphenoxy)propanamide;hydrochloride (CID 119497343) is N-(3-aminobutyl)-3-(3-methylphenoxy)propanamide;hydrochloride.
What is the SMILES notation for N-(3-aminobutyl)-3-(3-methylphenoxy)propanamide;hydrochloride?
The canonical SMILES for N-(3-aminobutyl)-3-(3-methylphenoxy)propanamide;hydrochloride is Cc1cccc(OCCC(=O)NCCC(C)N)c1.Cl.
What is the InChIKey of N-(3-aminobutyl)-3-(3-methylphenoxy)propanamide;hydrochloride?
The InChIKey is NACHPRDXRHCKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2.ClH/c1-11-4-3-5-13(10-11)18-9-7-14(17)16-8-6-12(2)15;/h3-5,10,12H,6-9,15H2,1-2H3,(H,16,17);1H.
What are the key properties of N-(3-aminobutyl)-3-(3-methylphenoxy)propanamide;hydrochloride?
N-(3-aminobutyl)-3-(3-methylphenoxy)propanamide;hydrochloride has a molecular weight of 286.80 g/mol, XLogP of 2.04, 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-(3-methylphenoxy)propanamide;hydrochloride is sourced from PubChem (CID 119497343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).