4-amino-3,3-dimethyl-N-(4-propylphenyl)butanamide

C15H24N2O — CID 115157180

IUPAC4-amino-3,3-dimethyl-N-(4-propylphenyl)butanamide
SMILESCCCc1ccc(NC(=O)CC(C)(C)CN)cc1
InChIInChI=1S/C15H24N2O/c1-4-5-12-6-8-13(9-7-12)17-14(18)10-15(2,3)11-16/h6-9H,4-5,10-11,16H2,1-3H3,(H,17,18)
InChIKeyJYOASLKSPZEXSH-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.95
Rot. Bonds6

About 4-amino-3,3-dimethyl-N-(4-propylphenyl)butanamide

4-amino-3,3-dimethyl-N-(4-propylphenyl)butanamide (PubChem CID 115157180) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-amino-3,3-dimethyl-N-(4-propylphenyl)butanamide.

Molecular Properties

Compound Name4-amino-3,3-dimethyl-N-(4-propylphenyl)butanamide
PubChem CID115157180
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name4-amino-3,3-dimethyl-N-(4-propylphenyl)butanamide
SMILESCCCc1ccc(NC(=O)CC(C)(C)CN)cc1
InChIInChI=1S/C15H24N2O/c1-4-5-12-6-8-13(9-7-12)17-14(18)10-15(2,3)11-16/h6-9H,4-5,10-11,16H2,1-3H3,(H,17,18)
InChIKeyJYOASLKSPZEXSH-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(4-propylphenyl)acetamide
CID 43216495
4-amino-3,3-dimethyl-N-(4-methylsulfanylphenyl)butanamide
CID 115157210
4-amino-3,3-dimethyl-1-(4-propylphenyl)butan-1-one
CID 116916455
4-amino-3-methoxy-N-(4-propylphenyl)butanamide
CID 103154337
2-[2-(aminomethyl)phenyl]-N-(4-propylphenyl)acetamide
CID 81311722
1-tert-butyl-3-(4-propylphenyl)urea
CID 113218267
2-methylsulfanyl-N-(4-propylphenyl)acetamide
CID 112765657
2-phenyl-N-(4-propylphenyl)acetamide
CID 126501660
N-phenyl-2-(4-propylanilino)acetamide
CID 43215416
N-[4-(2-bromoethyl)phenyl]-3,3-dimethylbutanamide
CID 114310364
2-hydrazinyl-2-oxo-N-(4-propylphenyl)acetamide
CID 43378780
4-amino-N-[2-(4-fluorophenyl)ethyl]-3,3-dimethylbutanamide
CID 115157410

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,3-dimethyl-N-(4-propylphenyl)butanamide?
The IUPAC name of 4-amino-3,3-dimethyl-N-(4-propylphenyl)butanamide (CID 115157180) is 4-amino-3,3-dimethyl-N-(4-propylphenyl)butanamide.
What is the SMILES notation for 4-amino-3,3-dimethyl-N-(4-propylphenyl)butanamide?
The canonical SMILES for 4-amino-3,3-dimethyl-N-(4-propylphenyl)butanamide is CCCc1ccc(NC(=O)CC(C)(C)CN)cc1.
What is the InChIKey of 4-amino-3,3-dimethyl-N-(4-propylphenyl)butanamide?
The InChIKey is JYOASLKSPZEXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-5-12-6-8-13(9-7-12)17-14(18)10-15(2,3)11-16/h6-9H,4-5,10-11,16H2,1-3H3,(H,17,18).
What are the key properties of 4-amino-3,3-dimethyl-N-(4-propylphenyl)butanamide?
4-amino-3,3-dimethyl-N-(4-propylphenyl)butanamide has a molecular weight of 248.37 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,3-dimethyl-N-(4-propylphenyl)butanamide is sourced from PubChem (CID 115157180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).