N-(2,2-dimethylpropyl)-4-(4-methylphenyl)butanamide

C16H25NO — CID 177221343

IUPACN-(2,2-dimethylpropyl)-4-(4-methylphenyl)butanamide
SMILESCc1ccc(CCCC(=O)NCC(C)(C)C)cc1
InChIInChI=1S/C16H25NO/c1-13-8-10-14(11-9-13)6-5-7-15(18)17-12-16(2,3)4/h8-11H,5-7,12H2,1-4H3,(H,17,18)
InChIKeyXDMQKPJKRBSFND-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.48
Rot. Bonds5

About N-(2,2-dimethylpropyl)-4-(4-methylphenyl)butanamide

N-(2,2-dimethylpropyl)-4-(4-methylphenyl)butanamide (PubChem CID 177221343) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-4-(4-methylphenyl)butanamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-4-(4-methylphenyl)butanamide
PubChem CID177221343
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-(2,2-dimethylpropyl)-4-(4-methylphenyl)butanamide
SMILESCc1ccc(CCCC(=O)NCC(C)(C)C)cc1
InChIInChI=1S/C16H25NO/c1-13-8-10-14(11-9-13)6-5-7-15(18)17-12-16(2,3)4/h8-11H,5-7,12H2,1-4H3,(H,17,18)
InChIKeyXDMQKPJKRBSFND-UHFFFAOYSA-N
XLogP3.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-ethyl-2-hydroxybutyl)-4-(4-methylphenyl)butanamide
CID 111463301
N-(3-chloro-2,2-dimethylpropyl)-3-(4-methylphenyl)propanamide
CID 115364619
N-(2,3-dihydroxy-2-methylpropyl)-3-(4-methylphenyl)propanamide
CID 66171129
N-(2,2-dimethylpropyl)-3-phenylpropanamide
CID 100801997
2-methyl-3-[4-(4-methylphenyl)butanoylamino]propanoic acid
CID 119236583
N-(2-cyclopentylethyl)-4-(4-methylphenyl)butanamide
CID 55774639
2,2-dimethyl-3-(4-phenylbutanoylamino)propanoic acid
CID 81370076
N-(2-amino-2-oxoethyl)-5-(4-methylphenyl)pentanamide
CID 56784821
N-(4-bromo-2,2-dimethylbutyl)-3-(4-methylphenyl)propanamide
CID 114149427
N-(cyclohexylmethyl)-4-(4-methylphenyl)butanamide
CID 55771489
5-(4-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)pentanamide
CID 110306829
N-(1-amino-2-methylpropan-2-yl)-5-(4-methylphenyl)pentanamide
CID 119522094

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-4-(4-methylphenyl)butanamide?
The IUPAC name of N-(2,2-dimethylpropyl)-4-(4-methylphenyl)butanamide (CID 177221343) is N-(2,2-dimethylpropyl)-4-(4-methylphenyl)butanamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-4-(4-methylphenyl)butanamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-4-(4-methylphenyl)butanamide is Cc1ccc(CCCC(=O)NCC(C)(C)C)cc1.
What is the InChIKey of N-(2,2-dimethylpropyl)-4-(4-methylphenyl)butanamide?
The InChIKey is XDMQKPJKRBSFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-13-8-10-14(11-9-13)6-5-7-15(18)17-12-16(2,3)4/h8-11H,5-7,12H2,1-4H3,(H,17,18).
What are the key properties of N-(2,2-dimethylpropyl)-4-(4-methylphenyl)butanamide?
N-(2,2-dimethylpropyl)-4-(4-methylphenyl)butanamide has a molecular weight of 247.38 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-4-(4-methylphenyl)butanamide is sourced from PubChem (CID 177221343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).