4-amino-N-[2-methyl-1-(2-methylphenyl)propan-2-yl]butanamide

C15H24N2O — CID 119318192

IUPAC4-amino-N-[2-methyl-1-(2-methylphenyl)propan-2-yl]butanamide
SMILESCc1ccccc1CC(C)(C)NC(=O)CCCN
InChIInChI=1S/C15H24N2O/c1-12-7-4-5-8-13(12)11-15(2,3)17-14(18)9-6-10-16/h4-5,7-8H,6,9-11,16H2,1-3H3,(H,17,18)
InChIKeyGJXAGBSNLMSABM-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.17
Rot. Bonds6

About 4-amino-N-[2-methyl-1-(2-methylphenyl)propan-2-yl]butanamide

4-amino-N-[2-methyl-1-(2-methylphenyl)propan-2-yl]butanamide (PubChem CID 119318192) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-amino-N-[2-methyl-1-(2-methylphenyl)propan-2-yl]butanamide.

Molecular Properties

Compound Name4-amino-N-[2-methyl-1-(2-methylphenyl)propan-2-yl]butanamide
PubChem CID119318192
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name4-amino-N-[2-methyl-1-(2-methylphenyl)propan-2-yl]butanamide
SMILESCc1ccccc1CC(C)(C)NC(=O)CCCN
InChIInChI=1S/C15H24N2O/c1-12-7-4-5-8-13(12)11-15(2,3)17-14(18)9-6-10-16/h4-5,7-8H,6,9-11,16H2,1-3H3,(H,17,18)
InChIKeyGJXAGBSNLMSABM-UHFFFAOYSA-N
XLogP2.17
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-aminophenyl)-N-[2-methyl-1-(2-methylphenyl)propan-2-yl]acetamide
CID 119774393
N-(1-bromo-2-methylpropan-2-yl)-3-(2-methylphenyl)propanamide
CID 114307883
2-(2-methoxyethylamino)-N-[2-methyl-1-(2-methylphenyl)propan-2-yl]acetamide;hydrochloride
CID 86813968
4-amino-N-[[2-(2-methylphenoxy)phenyl]methyl]butanamide
CID 119320252
2-(2-aminoethyl)-N-[2-methyl-1-(2-methylphenyl)propan-2-yl]-1,3-thiazole-4-carboxamide
CID 120630938
N-(4-aminobutyl)-2-(2-methylphenyl)acetamide
CID 60893782
2-[[2-methyl-1-(2-methylphenyl)propan-2-yl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120975956
N'-(3-aminopropanoyl)-3-(2-methylphenyl)propanehydrazide
CID 94268169
2-chloro-N-[1-(2-fluorophenyl)-2-methylpropan-2-yl]acetamide
CID 82130304
2-[(2-methylphenyl)methylsulfanyl]-N-(2-methyl-1-phenylpropan-2-yl)acetamide
CID 100564139
N-[3-(aminomethyl)pentan-3-yl]-3-(2-methylphenyl)propanamide
CID 63765909
N-[1-(1H-indol-3-yl)-2-methylpropan-2-yl]pentanamide
CID 113086286

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-methyl-1-(2-methylphenyl)propan-2-yl]butanamide?
The IUPAC name of 4-amino-N-[2-methyl-1-(2-methylphenyl)propan-2-yl]butanamide (CID 119318192) is 4-amino-N-[2-methyl-1-(2-methylphenyl)propan-2-yl]butanamide.
What is the SMILES notation for 4-amino-N-[2-methyl-1-(2-methylphenyl)propan-2-yl]butanamide?
The canonical SMILES for 4-amino-N-[2-methyl-1-(2-methylphenyl)propan-2-yl]butanamide is Cc1ccccc1CC(C)(C)NC(=O)CCCN.
What is the InChIKey of 4-amino-N-[2-methyl-1-(2-methylphenyl)propan-2-yl]butanamide?
The InChIKey is GJXAGBSNLMSABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12-7-4-5-8-13(12)11-15(2,3)17-14(18)9-6-10-16/h4-5,7-8H,6,9-11,16H2,1-3H3,(H,17,18).
What are the key properties of 4-amino-N-[2-methyl-1-(2-methylphenyl)propan-2-yl]butanamide?
4-amino-N-[2-methyl-1-(2-methylphenyl)propan-2-yl]butanamide has a molecular weight of 248.37 g/mol, XLogP of 2.17, 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-1-(2-methylphenyl)propan-2-yl]butanamide is sourced from PubChem (CID 119318192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).