N-(1-aminopropan-2-yl)-N-methyl-4-(4-methylphenyl)butanamide

C15H24N2O — CID 119584493

IUPACN-(1-aminopropan-2-yl)-N-methyl-4-(4-methylphenyl)butanamide
SMILESCc1ccc(CCCC(=O)N(C)C(C)CN)cc1
InChIInChI=1S/C15H24N2O/c1-12-7-9-14(10-8-12)5-4-6-15(18)17(3)13(2)11-16/h7-10,13H,4-6,11,16H2,1-3H3
InChIKeyTVJBLFVLPFAKNL-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.12
Rot. Bonds6

About N-(1-aminopropan-2-yl)-N-methyl-4-(4-methylphenyl)butanamide

N-(1-aminopropan-2-yl)-N-methyl-4-(4-methylphenyl)butanamide (PubChem CID 119584493) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-N-methyl-4-(4-methylphenyl)butanamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-N-methyl-4-(4-methylphenyl)butanamide
PubChem CID119584493
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-(1-aminopropan-2-yl)-N-methyl-4-(4-methylphenyl)butanamide
SMILESCc1ccc(CCCC(=O)N(C)C(C)CN)cc1
InChIInChI=1S/C15H24N2O/c1-12-7-9-14(10-8-12)5-4-6-15(18)17(3)13(2)11-16/h7-10,13H,4-6,11,16H2,1-3H3
InChIKeyTVJBLFVLPFAKNL-UHFFFAOYSA-N
XLogP2.12
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-aminopropan-2-yl)-N-methyl-5-(4-methylphenyl)pentanamide
CID 119582075
N-(1-aminopropan-2-yl)-N-methyl-4-phenylbutanamide
CID 112701398
N-(1-aminopropan-2-yl)-N-methyl-3-(4-propan-2-ylphenyl)propanamide
CID 119585107
N-(1-aminopropan-2-yl)-N-methyl-3-(4-methylphenyl)pentanamide
CID 119581659
N-(1-aminopropan-2-yl)-N-methyl-3-pyridin-4-ylpropanamide;dihydrochloride
CID 119582548
N-(1-aminopropan-2-yl)-N-methyl-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride
CID 119583698
N-(1-hydroxypropan-2-yl)-N-methyl-4-phenylbutanamide
CID 113337561
ethyl 4-(4-methylphenyl)butanoate
CID 10013221
N-(1-aminopropan-2-yl)-N-methyl-3-(4-methylphenyl)pentanamide;hydrochloride
CID 119581658
N-(1-aminopropan-2-yl)-3-[4-(difluoromethoxy)phenyl]-N-methylpropanamide
CID 119584021
2-amino-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]acetamide;hydrochloride
CID 119330274
N-methyl-4-phenyl-N-propan-2-ylbutanamide
CID 78884220

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-N-methyl-4-(4-methylphenyl)butanamide?
The IUPAC name of N-(1-aminopropan-2-yl)-N-methyl-4-(4-methylphenyl)butanamide (CID 119584493) is N-(1-aminopropan-2-yl)-N-methyl-4-(4-methylphenyl)butanamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-N-methyl-4-(4-methylphenyl)butanamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-N-methyl-4-(4-methylphenyl)butanamide is Cc1ccc(CCCC(=O)N(C)C(C)CN)cc1.
What is the InChIKey of N-(1-aminopropan-2-yl)-N-methyl-4-(4-methylphenyl)butanamide?
The InChIKey is TVJBLFVLPFAKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12-7-9-14(10-8-12)5-4-6-15(18)17(3)13(2)11-16/h7-10,13H,4-6,11,16H2,1-3H3.
What are the key properties of N-(1-aminopropan-2-yl)-N-methyl-4-(4-methylphenyl)butanamide?
N-(1-aminopropan-2-yl)-N-methyl-4-(4-methylphenyl)butanamide has a molecular weight of 248.37 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-N-methyl-4-(4-methylphenyl)butanamide is sourced from PubChem (CID 119584493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).