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

C13H21ClN2O — CID 119404890

IUPACN-(3-aminopropyl)-3-(3-methylphenyl)propanamide;hydrochloride
SMILESCc1cccc(CCC(=O)NCCCN)c1.Cl
InChIInChI=1S/C13H20N2O.ClH/c1-11-4-2-5-12(10-11)6-7-13(16)15-9-3-8-14;/h2,4-5,10H,3,6-9,14H2,1H3,(H,15,16);1H
InChIKeyKPSKWKMTWZDRIH-UHFFFAOYSA-N
MW256.78 g/mol
LogP1.81
Rot. Bonds6

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

N-(3-aminopropyl)-3-(3-methylphenyl)propanamide;hydrochloride (PubChem CID 119404890) has the molecular formula C13H21ClN2O and a molecular weight of 256.78 g/mol. Its IUPAC name is N-(3-aminopropyl)-3-(3-methylphenyl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-3-(3-methylphenyl)propanamide;hydrochloride
PubChem CID119404890
Molecular FormulaC13H21ClN2O
Molecular Weight256.78 g/mol
Exact Mass256.13
IUPAC NameN-(3-aminopropyl)-3-(3-methylphenyl)propanamide;hydrochloride
SMILESCc1cccc(CCC(=O)NCCCN)c1.Cl
InChIInChI=1S/C13H20N2O.ClH/c1-11-4-2-5-12(10-11)6-7-13(16)15-9-3-8-14;/h2,4-5,10H,3,6-9,14H2,1H3,(H,15,16);1H
InChIKeyKPSKWKMTWZDRIH-UHFFFAOYSA-N
XLogP1.81
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-hydroxybutyl)-3-(3-methylphenyl)propanamide
CID 106843245
N-(3-bromopropyl)-3-(3-methylphenyl)propanamide
CID 62365535
ethyl 4-[3-(3-methylphenyl)propanoylamino]butanoate
CID 60700311
N-(6-bromohexyl)-3-(3-methylphenyl)propanamide
CID 114008578
N-(6-iodohexyl)-3-(3-methylphenyl)propanamide
CID 107848481
N-(3-aminobutyl)-3-(3-methylphenyl)propanamide;hydrochloride
CID 119494888
3-(3-methylphenyl)-N-(2-methylsulfonylethyl)propanamide
CID 47327011
4-(methylamino)-N-[2-(3-methylphenyl)ethyl]butanamide;hydrochloride
CID 119745493
N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-(3-methylphenyl)propanamide
CID 103800925
N-[4-(N-methylanilino)butyl]-3-(3-methylphenyl)propanamide
CID 60566428
5-hydroxy-N-[2-(3-methylphenyl)ethyl]pentanamide
CID 79199375
5-[2-(3-methylphenyl)ethylamino]-5-oxopentanoic acid
CID 62314996

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-3-(3-methylphenyl)propanamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-3-(3-methylphenyl)propanamide;hydrochloride (CID 119404890) is N-(3-aminopropyl)-3-(3-methylphenyl)propanamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-3-(3-methylphenyl)propanamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-3-(3-methylphenyl)propanamide;hydrochloride is Cc1cccc(CCC(=O)NCCCN)c1.Cl.
What is the InChIKey of N-(3-aminopropyl)-3-(3-methylphenyl)propanamide;hydrochloride?
The InChIKey is KPSKWKMTWZDRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O.ClH/c1-11-4-2-5-12(10-11)6-7-13(16)15-9-3-8-14;/h2,4-5,10H,3,6-9,14H2,1H3,(H,15,16);1H.
What are the key properties of N-(3-aminopropyl)-3-(3-methylphenyl)propanamide;hydrochloride?
N-(3-aminopropyl)-3-(3-methylphenyl)propanamide;hydrochloride has a molecular weight of 256.78 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-3-(3-methylphenyl)propanamide;hydrochloride is sourced from PubChem (CID 119404890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).