N-[4-(3,5,5-trimethylhexanoyl)phenyl]acetamide

C17H25NO2 — CID 43160152

IUPACN-[4-(3,5,5-trimethylhexanoyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)CC(C)CC(C)(C)C)cc1
InChIInChI=1S/C17H25NO2/c1-12(11-17(3,4)5)10-16(20)14-6-8-15(9-7-14)18-13(2)19/h6-9,12H,10-11H2,1-5H3,(H,18,19)
InChIKeyJDLBNYIBAVWEHM-UHFFFAOYSA-N
MW275.39 g/mol
LogP4.29
Rot. Bonds5

About N-[4-(3,5,5-trimethylhexanoyl)phenyl]acetamide

N-[4-(3,5,5-trimethylhexanoyl)phenyl]acetamide (PubChem CID 43160152) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is N-[4-(3,5,5-trimethylhexanoyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(3,5,5-trimethylhexanoyl)phenyl]acetamide
PubChem CID43160152
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC NameN-[4-(3,5,5-trimethylhexanoyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)CC(C)CC(C)(C)C)cc1
InChIInChI=1S/C17H25NO2/c1-12(11-17(3,4)5)10-16(20)14-6-8-15(9-7-14)18-13(2)19/h6-9,12H,10-11H2,1-5H3,(H,18,19)
InChIKeyJDLBNYIBAVWEHM-UHFFFAOYSA-N
XLogP4.29
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[4-(3,5,5-trimethylhexanoyl)piperazin-1-yl]phenyl]acetamide
CID 4041939
4-(4-acetamidophenyl)-2,2-dimethyl-4-oxobutanoic acid
CID 65298256
3,5,5-trimethyl-1-thiophen-3-ylhexan-1-one
CID 114975180
1-(4-bromo-3-methylphenyl)-3,5,5-trimethylhexan-1-one
CID 146010754
N-[4-(2,2-dimethylpropyl)phenyl]acetamide
CID 825793
1-(3-fluorophenyl)-3,5,5-trimethylhexan-1-one
CID 114962701
N-[4-(3-aminopropanoyl)phenyl]acetamide
CID 82341482
N-[4-[2-(tert-butylamino)propanoyl]phenyl]acetamide
CID 13458401
1-[4-methoxy-3-(trifluoromethyl)phenyl]-3,5,5-trimethylhexan-1-one
CID 146008988
6-(3,5,5-trimethylhexanoyl)-3H-1,3-benzoxazol-2-one
CID 43161895
N-(4-bromo-3-methylphenyl)-3,5,5-trimethylhexanamide
CID 43321101
N-[4-(2-aminopropanoyl)phenyl]acetamide
CID 70449840

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,5,5-trimethylhexanoyl)phenyl]acetamide?
The IUPAC name of N-[4-(3,5,5-trimethylhexanoyl)phenyl]acetamide (CID 43160152) is N-[4-(3,5,5-trimethylhexanoyl)phenyl]acetamide.
What is the SMILES notation for N-[4-(3,5,5-trimethylhexanoyl)phenyl]acetamide?
The canonical SMILES for N-[4-(3,5,5-trimethylhexanoyl)phenyl]acetamide is CC(=O)Nc1ccc(C(=O)CC(C)CC(C)(C)C)cc1.
What is the InChIKey of N-[4-(3,5,5-trimethylhexanoyl)phenyl]acetamide?
The InChIKey is JDLBNYIBAVWEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-12(11-17(3,4)5)10-16(20)14-6-8-15(9-7-14)18-13(2)19/h6-9,12H,10-11H2,1-5H3,(H,18,19).
What are the key properties of N-[4-(3,5,5-trimethylhexanoyl)phenyl]acetamide?
N-[4-(3,5,5-trimethylhexanoyl)phenyl]acetamide has a molecular weight of 275.39 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,5,5-trimethylhexanoyl)phenyl]acetamide is sourced from PubChem (CID 43160152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).