2-methyl-7-oxo-7-phenylheptanamide

C14H19NO2 — CID 141075090

IUPAC2-methyl-7-oxo-7-phenylheptanamide
SMILESCC(CCCCC(=O)c1ccccc1)C(N)=O
InChIInChI=1S/C14H19NO2/c1-11(14(15)17)7-5-6-10-13(16)12-8-3-2-4-9-12/h2-4,8-9,11H,5-7,10H2,1H3,(H2,15,17)
InChIKeyKSTUDVXJAPNVTD-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.55
Rot. Bonds7

About 2-methyl-7-oxo-7-phenylheptanamide

2-methyl-7-oxo-7-phenylheptanamide (PubChem CID 141075090) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-methyl-7-oxo-7-phenylheptanamide.

Molecular Properties

Compound Name2-methyl-7-oxo-7-phenylheptanamide
PubChem CID141075090
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-methyl-7-oxo-7-phenylheptanamide
SMILESCC(CCCCC(=O)c1ccccc1)C(N)=O
InChIInChI=1S/C14H19NO2/c1-11(14(15)17)7-5-6-10-13(16)12-8-3-2-4-9-12/h2-4,8-9,11H,5-7,10H2,1H3,(H2,15,17)
InChIKeyKSTUDVXJAPNVTD-UHFFFAOYSA-N
XLogP2.55
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-1-phenylheptan-1-one
CID 64505975
18-methyl-1-phenylnonadecan-1-one
CID 141198244
2-methyloctanediamide;terephthalic acid
CID 175020384
1,15-diphenylpentadecane-1,15-dione
CID 159981687
5-oxo-5-phenylpentanamide
CID 3787245
2-methyl-5-oxo-5-phenylpentanoic acid
CID 13462808
1-phenylheptane-1,6-dione
CID 11333176
6,6-diethoxy-1-phenylhexan-1-one
CID 141451964
2-methyl-6-oxo-6-phenylhexanal
CID 57034938
1-phenyldodecane-1,11-dione
CID 13147766
1-phenylheptadecan-1-one
CID 577626
1-phenyloctadecane-1,17-dione
CID 70545901

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-oxo-7-phenylheptanamide?
The IUPAC name of 2-methyl-7-oxo-7-phenylheptanamide (CID 141075090) is 2-methyl-7-oxo-7-phenylheptanamide.
What is the SMILES notation for 2-methyl-7-oxo-7-phenylheptanamide?
The canonical SMILES for 2-methyl-7-oxo-7-phenylheptanamide is CC(CCCCC(=O)c1ccccc1)C(N)=O.
What is the InChIKey of 2-methyl-7-oxo-7-phenylheptanamide?
The InChIKey is KSTUDVXJAPNVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-11(14(15)17)7-5-6-10-13(16)12-8-3-2-4-9-12/h2-4,8-9,11H,5-7,10H2,1H3,(H2,15,17).
What are the key properties of 2-methyl-7-oxo-7-phenylheptanamide?
2-methyl-7-oxo-7-phenylheptanamide has a molecular weight of 233.31 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-oxo-7-phenylheptanamide is sourced from PubChem (CID 141075090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).