N-(3-amino-2-methylpropyl)-3-(4-methylphenyl)propanamide;hydrochloride

C14H23ClN2O — CID 119995634

IUPACN-(3-amino-2-methylpropyl)-3-(4-methylphenyl)propanamide;hydrochloride
SMILESCc1ccc(CCC(=O)NCC(C)CN)cc1.Cl
InChIInChI=1S/C14H22N2O.ClH/c1-11-3-5-13(6-4-11)7-8-14(17)16-10-12(2)9-15;/h3-6,12H,7-10,15H2,1-2H3,(H,16,17);1H
InChIKeyWJJRKTDWSVURTB-UHFFFAOYSA-N
MW270.80 g/mol
LogP2.06
Rot. Bonds6

About N-(3-amino-2-methylpropyl)-3-(4-methylphenyl)propanamide;hydrochloride

N-(3-amino-2-methylpropyl)-3-(4-methylphenyl)propanamide;hydrochloride (PubChem CID 119995634) has the molecular formula C14H23ClN2O and a molecular weight of 270.80 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-3-(4-methylphenyl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-3-(4-methylphenyl)propanamide;hydrochloride
PubChem CID119995634
Molecular FormulaC14H23ClN2O
Molecular Weight270.80 g/mol
Exact Mass270.15
IUPAC NameN-(3-amino-2-methylpropyl)-3-(4-methylphenyl)propanamide;hydrochloride
SMILESCc1ccc(CCC(=O)NCC(C)CN)cc1.Cl
InChIInChI=1S/C14H22N2O.ClH/c1-11-3-5-13(6-4-11)7-8-14(17)16-10-12(2)9-15;/h3-6,12H,7-10,15H2,1-2H3,(H,16,17);1H
InChIKeyWJJRKTDWSVURTB-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[(3-amino-2-methylpropyl)amino]-2-oxoethyl]-3-(4-methylphenyl)propanamide;hydrochloride
CID 119997514
N-[(2R)-2-hydroxypropyl]-3-(4-methylphenyl)propanamide
CID 83032441
N-(3-amino-2-methylpropyl)-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride
CID 119998237
N-(3-amino-2-methylpropyl)-3-(2,4-dimethylphenyl)propanamide
CID 119995938
N-(2-aminobutyl)-3-(4-methylphenyl)propanamide
CID 63733649
N-(3-amino-2-methylpropyl)-4-(4-bromophenyl)butanamide
CID 115271775
3-(4-methylphenyl)-N-(2-phenylpropyl)propanamide
CID 133229339
N-(3-chlorobutyl)-3-(4-methylphenyl)propanamide
CID 114301818
N-(3,3-difluoro-2-hydroxypropyl)-3-(4-methylphenyl)propanamide
CID 113258582
N-(3-amino-2-methylpropyl)-3-(2,4,5-trimethylphenyl)propanamide
CID 115271746
N-(3-amino-2-methylpropyl)-4-methylbenzamide
CID 62668533
2-[3-(4-methylphenyl)propanoylamino]acetic acid
CID 43354539

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-3-(4-methylphenyl)propanamide;hydrochloride?
The IUPAC name of N-(3-amino-2-methylpropyl)-3-(4-methylphenyl)propanamide;hydrochloride (CID 119995634) is N-(3-amino-2-methylpropyl)-3-(4-methylphenyl)propanamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-3-(4-methylphenyl)propanamide;hydrochloride?
The canonical SMILES for N-(3-amino-2-methylpropyl)-3-(4-methylphenyl)propanamide;hydrochloride is Cc1ccc(CCC(=O)NCC(C)CN)cc1.Cl.
What is the InChIKey of N-(3-amino-2-methylpropyl)-3-(4-methylphenyl)propanamide;hydrochloride?
The InChIKey is WJJRKTDWSVURTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O.ClH/c1-11-3-5-13(6-4-11)7-8-14(17)16-10-12(2)9-15;/h3-6,12H,7-10,15H2,1-2H3,(H,16,17);1H.
What are the key properties of N-(3-amino-2-methylpropyl)-3-(4-methylphenyl)propanamide;hydrochloride?
N-(3-amino-2-methylpropyl)-3-(4-methylphenyl)propanamide;hydrochloride has a molecular weight of 270.80 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-3-(4-methylphenyl)propanamide;hydrochloride is sourced from PubChem (CID 119995634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).