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

C14H23ClN2O — CID 119494888

IUPACN-(3-aminobutyl)-3-(3-methylphenyl)propanamide;hydrochloride
SMILESCc1cccc(CCC(=O)NCCC(C)N)c1.Cl
InChIInChI=1S/C14H22N2O.ClH/c1-11-4-3-5-13(10-11)6-7-14(17)16-9-8-12(2)15;/h3-5,10,12H,6-9,15H2,1-2H3,(H,16,17);1H
InChIKeyYWDQWOLXECZCCN-UHFFFAOYSA-N
MW270.80 g/mol
LogP2.20
Rot. Bonds6

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

N-(3-aminobutyl)-3-(3-methylphenyl)propanamide;hydrochloride (PubChem CID 119494888) has the molecular formula C14H23ClN2O and a molecular weight of 270.80 g/mol. Its IUPAC name is N-(3-aminobutyl)-3-(3-methylphenyl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminobutyl)-3-(3-methylphenyl)propanamide;hydrochloride
PubChem CID119494888
Molecular FormulaC14H23ClN2O
Molecular Weight270.80 g/mol
Exact Mass270.15
IUPAC NameN-(3-aminobutyl)-3-(3-methylphenyl)propanamide;hydrochloride
SMILESCc1cccc(CCC(=O)NCCC(C)N)c1.Cl
InChIInChI=1S/C14H22N2O.ClH/c1-11-4-3-5-13(10-11)6-7-14(17)16-9-8-12(2)15;/h3-5,10,12H,6-9,15H2,1-2H3,(H,16,17);1H
InChIKeyYWDQWOLXECZCCN-UHFFFAOYSA-N
XLogP2.20
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.80
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 119497411
N-(3-aminopropyl)-3-(3-methylphenyl)propanamide;hydrochloride
CID 119404890
N-(3-aminobutyl)-3-(3-methylphenoxy)propanamide;hydrochloride
CID 119497343
N-(3-aminobutyl)-2-(3-methylphenoxy)acetamide;hydrochloride
CID 119497988
ethyl 4-[3-(3-methylphenyl)propanoylamino]butanoate
CID 60700311
N-[2-(methylamino)propyl]-3-(3-methylphenyl)propanamide;hydrochloride
CID 120832068
N-(3-aminobutyl)-3-(4-bromophenyl)propanamide;hydrochloride
CID 119498486
N-(3-bromopropyl)-3-(3-methylphenyl)propanamide
CID 62365535
N-(4-hydroxybutyl)-3-(3-methylphenyl)propanamide
CID 106843245
3-(3-methylphenyl)-N-(2-methylsulfonylethyl)propanamide
CID 47327011
3-(2-aminophenyl)-N-[2-(3-methylphenyl)ethyl]propanamide
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N-(6-iodohexyl)-3-(3-methylphenyl)propanamide
CID 107848481

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-3-(3-methylphenyl)propanamide;hydrochloride?
The IUPAC name of N-(3-aminobutyl)-3-(3-methylphenyl)propanamide;hydrochloride (CID 119494888) is N-(3-aminobutyl)-3-(3-methylphenyl)propanamide;hydrochloride.
What is the SMILES notation for N-(3-aminobutyl)-3-(3-methylphenyl)propanamide;hydrochloride?
The canonical SMILES for N-(3-aminobutyl)-3-(3-methylphenyl)propanamide;hydrochloride is Cc1cccc(CCC(=O)NCCC(C)N)c1.Cl.
What is the InChIKey of N-(3-aminobutyl)-3-(3-methylphenyl)propanamide;hydrochloride?
The InChIKey is YWDQWOLXECZCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O.ClH/c1-11-4-3-5-13(10-11)6-7-14(17)16-9-8-12(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-methylphenyl)propanamide;hydrochloride?
N-(3-aminobutyl)-3-(3-methylphenyl)propanamide;hydrochloride has a molecular weight of 270.80 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-3-(3-methylphenyl)propanamide;hydrochloride is sourced from PubChem (CID 119494888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).