N,N-dimethyl-2-oxo-7-phenylheptanamide

C15H21NO2 — CID 123200026

IUPACN,N-dimethyl-2-oxo-7-phenylheptanamide
SMILESCN(C)C(=O)C(=O)CCCCCc1ccccc1
InChIInChI=1S/C15H21NO2/c1-16(2)15(18)14(17)12-8-4-7-11-13-9-5-3-6-10-13/h3,5-6,9-10H,4,7-8,11-12H2,1-2H3
InChIKeySIINYPXKBSHNES-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.45
Rot. Bonds7

About N,N-dimethyl-2-oxo-7-phenylheptanamide

N,N-dimethyl-2-oxo-7-phenylheptanamide (PubChem CID 123200026) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N,N-dimethyl-2-oxo-7-phenylheptanamide.

Molecular Properties

Compound NameN,N-dimethyl-2-oxo-7-phenylheptanamide
PubChem CID123200026
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN,N-dimethyl-2-oxo-7-phenylheptanamide
SMILESCN(C)C(=O)C(=O)CCCCCc1ccccc1
InChIInChI=1S/C15H21NO2/c1-16(2)15(18)14(17)12-8-4-7-11-13-9-5-3-6-10-13/h3,5-6,9-10H,4,7-8,11-12H2,1-2H3
InChIKeySIINYPXKBSHNES-UHFFFAOYSA-N
XLogP2.45
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

15-phenylpentadecanoic acid
CID 2737151
potassium 15-phenylpentadecanoate
CID 23717018
1,9-diphenylnonan-5-one
CID 23467830
N-methyl-9-phenylnonanamide
CID 118028570
2-methyl-9-phenylnonan-3-one
CID 58366233
N,N,2,2-tetramethyl-7-phenylheptanamide
CID 142211557
benzyl 2-oxo-8-phenyloctanoate
CID 18371042
sodium;hydride;15-phenylpentadecanoic acid;selane
CID 174846933
sodium;hydride;12-phenyldodecanoic acid;selane
CID 174847736
13-phenyltridecane-2,4-dione
CID 19792481
bis(N-methyl-N-(4-phenylbutyl)nonan-1-amine);oxalic acid
CID 173427638
2,2-dimethyl-7-phenylheptan-3-one
CID 13371233

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-oxo-7-phenylheptanamide?
The IUPAC name of N,N-dimethyl-2-oxo-7-phenylheptanamide (CID 123200026) is N,N-dimethyl-2-oxo-7-phenylheptanamide.
What is the SMILES notation for N,N-dimethyl-2-oxo-7-phenylheptanamide?
The canonical SMILES for N,N-dimethyl-2-oxo-7-phenylheptanamide is CN(C)C(=O)C(=O)CCCCCc1ccccc1.
What is the InChIKey of N,N-dimethyl-2-oxo-7-phenylheptanamide?
The InChIKey is SIINYPXKBSHNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-16(2)15(18)14(17)12-8-4-7-11-13-9-5-3-6-10-13/h3,5-6,9-10H,4,7-8,11-12H2,1-2H3.
What are the key properties of N,N-dimethyl-2-oxo-7-phenylheptanamide?
N,N-dimethyl-2-oxo-7-phenylheptanamide has a molecular weight of 247.34 g/mol, XLogP of 2.45, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-oxo-7-phenylheptanamide is sourced from PubChem (CID 123200026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).