4-amino-N-[2-methyl-2-(4-methylphenyl)propyl]butanamide;hydrochloride

C15H25ClN2O — CID 119318689

IUPAC4-amino-N-[2-methyl-2-(4-methylphenyl)propyl]butanamide;hydrochloride
SMILESCc1ccc(C(C)(C)CNC(=O)CCCN)cc1.Cl
InChIInChI=1S/C15H24N2O.ClH/c1-12-6-8-13(9-7-12)15(2,3)11-17-14(18)5-4-10-16;/h6-9H,4-5,10-11,16H2,1-3H3,(H,17,18);1H
InChIKeyPLCMLBYVCKUDBY-UHFFFAOYSA-N
MW284.83 g/mol
LogP2.55
Rot. Bonds6

About 4-amino-N-[2-methyl-2-(4-methylphenyl)propyl]butanamide;hydrochloride

4-amino-N-[2-methyl-2-(4-methylphenyl)propyl]butanamide;hydrochloride (PubChem CID 119318689) has the molecular formula C15H25ClN2O and a molecular weight of 284.83 g/mol. Its IUPAC name is 4-amino-N-[2-methyl-2-(4-methylphenyl)propyl]butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[2-methyl-2-(4-methylphenyl)propyl]butanamide;hydrochloride
PubChem CID119318689
Molecular FormulaC15H25ClN2O
Molecular Weight284.83 g/mol
Exact Mass284.17
IUPAC Name4-amino-N-[2-methyl-2-(4-methylphenyl)propyl]butanamide;hydrochloride
SMILESCc1ccc(C(C)(C)CNC(=O)CCCN)cc1.Cl
InChIInChI=1S/C15H24N2O.ClH/c1-12-6-8-13(9-7-12)15(2,3)11-17-14(18)5-4-10-16;/h6-9H,4-5,10-11,16H2,1-3H3,(H,17,18);1H
InChIKeyPLCMLBYVCKUDBY-UHFFFAOYSA-N
XLogP2.55
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.83
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-[2-(4-fluorophenyl)-2-methylpropyl]butanamide;hydrochloride
CID 119318753
4-amino-N-[2-(4-methoxyphenyl)-2-methylpropyl]butanamide
CID 110460825
7-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]heptanamide
CID 119738039
2-(methylamino)-N-[2-methyl-2-(4-methylphenyl)propyl]acetamide
CID 115152154
4-amino-N-(2-methyl-2-pyridin-3-ylpropyl)butanamide
CID 115155544
4-amino-N-[2-methyl-2-(3-methylthiophen-2-yl)propyl]butanamide
CID 115155557
N-[2-(4-aminobutanoylamino)ethyl]-4-methylbenzamide
CID 54880623
[2-methyl-2-(4-methylphenyl)propyl]carbamoylazanide;ruthenium(1+)
CID 142973882
N-[2-(4-fluorophenyl)-2-methylpropyl]-4-hydroxybutanamide
CID 115163181
4-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]pentanamide;hydrochloride
CID 120560827
3-chloro-N-[2-(4-chlorophenyl)-2-methylpropyl]propanamide
CID 110480800
7-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]heptanamide
CID 119796098

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-methyl-2-(4-methylphenyl)propyl]butanamide;hydrochloride?
The IUPAC name of 4-amino-N-[2-methyl-2-(4-methylphenyl)propyl]butanamide;hydrochloride (CID 119318689) is 4-amino-N-[2-methyl-2-(4-methylphenyl)propyl]butanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[2-methyl-2-(4-methylphenyl)propyl]butanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[2-methyl-2-(4-methylphenyl)propyl]butanamide;hydrochloride is Cc1ccc(C(C)(C)CNC(=O)CCCN)cc1.Cl.
What is the InChIKey of 4-amino-N-[2-methyl-2-(4-methylphenyl)propyl]butanamide;hydrochloride?
The InChIKey is PLCMLBYVCKUDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O.ClH/c1-12-6-8-13(9-7-12)15(2,3)11-17-14(18)5-4-10-16;/h6-9H,4-5,10-11,16H2,1-3H3,(H,17,18);1H.
What are the key properties of 4-amino-N-[2-methyl-2-(4-methylphenyl)propyl]butanamide;hydrochloride?
4-amino-N-[2-methyl-2-(4-methylphenyl)propyl]butanamide;hydrochloride has a molecular weight of 284.83 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-methyl-2-(4-methylphenyl)propyl]butanamide;hydrochloride is sourced from PubChem (CID 119318689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).