7,7-dimethyl-N-phenyloctanamide

C16H25NO — CID 68837139

IUPAC7,7-dimethyl-N-phenyloctanamide
SMILESCC(C)(C)CCCCCC(=O)Nc1ccccc1
InChIInChI=1S/C16H25NO/c1-16(2,3)13-9-5-8-12-15(18)17-14-10-6-4-7-11-14/h4,6-7,10-11H,5,8-9,12-13H2,1-3H3,(H,17,18)
InChIKeyZXXFGWOTYHARIC-UHFFFAOYSA-N
MW247.38 g/mol
LogP4.62
Rot. Bonds6

About 7,7-dimethyl-N-phenyloctanamide

7,7-dimethyl-N-phenyloctanamide (PubChem CID 68837139) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 7,7-dimethyl-N-phenyloctanamide.

Molecular Properties

Compound Name7,7-dimethyl-N-phenyloctanamide
PubChem CID68837139
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name7,7-dimethyl-N-phenyloctanamide
SMILESCC(C)(C)CCCCCC(=O)Nc1ccccc1
InChIInChI=1S/C16H25NO/c1-16(2,3)13-9-5-8-12-15(18)17-14-10-6-4-7-11-14/h4,6-7,10-11H,5,8-9,12-13H2,1-3H3,(H,17,18)
InChIKeyZXXFGWOTYHARIC-UHFFFAOYSA-N
XLogP4.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-phenylpentacosanamide
CID 19025260
N-phenylheptatetracontanamide
CID 150503307
11-anilino-11-oxoundecanoic acid
CID 150341840
44-anilino-44-oxotetratetracontanoic acid
CID 152661091
9,9,9-trifluoro-8,8-dihydroxy-N-phenylnonanamide
CID 122391197
4-hydroxy-4-methyl-N-phenylpentanamide
CID 564630
7-bromo-N-phenylheptanamide
CID 11266084
N-phenyl-10-sulfanyldecanamide
CID 89127946
N-phenyl-9-sulfanylnonanamide
CID 89127947
8-oxo-N-phenyloctanamide
CID 15739209
6-[dihydroxy(methyl)silyl]-N-phenylhexanamide
CID 11565230
5-oxo-N-phenylheptadecanamide
CID 3308902

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-N-phenyloctanamide?
The IUPAC name of 7,7-dimethyl-N-phenyloctanamide (CID 68837139) is 7,7-dimethyl-N-phenyloctanamide.
What is the SMILES notation for 7,7-dimethyl-N-phenyloctanamide?
The canonical SMILES for 7,7-dimethyl-N-phenyloctanamide is CC(C)(C)CCCCCC(=O)Nc1ccccc1.
What is the InChIKey of 7,7-dimethyl-N-phenyloctanamide?
The InChIKey is ZXXFGWOTYHARIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-16(2,3)13-9-5-8-12-15(18)17-14-10-6-4-7-11-14/h4,6-7,10-11H,5,8-9,12-13H2,1-3H3,(H,17,18).
What are the key properties of 7,7-dimethyl-N-phenyloctanamide?
7,7-dimethyl-N-phenyloctanamide has a molecular weight of 247.38 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-N-phenyloctanamide is sourced from PubChem (CID 68837139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).