4,4-dimethyl-6-oxo-N,7-diphenylheptanamide

C21H25NO2 — CID 160928097

IUPAC4,4-dimethyl-6-oxo-N,7-diphenylheptanamide
SMILESCC(C)(CCC(=O)Nc1ccccc1)CC(=O)Cc1ccccc1
InChIInChI=1S/C21H25NO2/c1-21(2,16-19(23)15-17-9-5-3-6-10-17)14-13-20(24)22-18-11-7-4-8-12-18/h3-12H,13-16H2,1-2H3,(H,22,24)
InChIKeyJJOZNTIPXMFZJE-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.63
Rot. Bonds8

About 4,4-dimethyl-6-oxo-N,7-diphenylheptanamide

4,4-dimethyl-6-oxo-N,7-diphenylheptanamide (PubChem CID 160928097) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 4,4-dimethyl-6-oxo-N,7-diphenylheptanamide.

Molecular Properties

Compound Name4,4-dimethyl-6-oxo-N,7-diphenylheptanamide
PubChem CID160928097
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Name4,4-dimethyl-6-oxo-N,7-diphenylheptanamide
SMILESCC(C)(CCC(=O)Nc1ccccc1)CC(=O)Cc1ccccc1
InChIInChI=1S/C21H25NO2/c1-21(2,16-19(23)15-17-9-5-3-6-10-17)14-13-20(24)22-18-11-7-4-8-12-18/h3-12H,13-16H2,1-2H3,(H,22,24)
InChIKeyJJOZNTIPXMFZJE-UHFFFAOYSA-N
XLogP4.63
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-amino-4,4-dimethyl-N-phenylhexanamide
CID 65292724
4-hydroxy-4-methyl-N-phenylpentanamide
CID 564630
7-amino-5,5-dimethyl-1-phenylheptan-2-one
CID 116574700
2-[3-[(6-amino-4,4-dimethylhexanoyl)amino]phenyl]acetic acid
CID 65349861
methyl 5-anilino-2,2-dimethyl-5-oxopentanoate
CID 70281853
3,3-difluoro-N-phenylbutanamide
CID 131059355
N-[4-(tert-butylamino)phenyl]-2-phenylacetamide
CID 112984887
3-fluoro-N-phenylpropanamide
CID 70366284
7,7-dimethyl-N-phenyloctanamide
CID 68837139
N-[4-(2-oxo-4-phenylbutyl)phenyl]propanamide
CID 157140681
N-[4-[(2-phenylacetyl)amino]phenyl]propanamide
CID 1274275
(3-anilino-3-oxopropyl)-trimethylazanium
CID 173269381

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-6-oxo-N,7-diphenylheptanamide?
The IUPAC name of 4,4-dimethyl-6-oxo-N,7-diphenylheptanamide (CID 160928097) is 4,4-dimethyl-6-oxo-N,7-diphenylheptanamide.
What is the SMILES notation for 4,4-dimethyl-6-oxo-N,7-diphenylheptanamide?
The canonical SMILES for 4,4-dimethyl-6-oxo-N,7-diphenylheptanamide is CC(C)(CCC(=O)Nc1ccccc1)CC(=O)Cc1ccccc1.
What is the InChIKey of 4,4-dimethyl-6-oxo-N,7-diphenylheptanamide?
The InChIKey is JJOZNTIPXMFZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c1-21(2,16-19(23)15-17-9-5-3-6-10-17)14-13-20(24)22-18-11-7-4-8-12-18/h3-12H,13-16H2,1-2H3,(H,22,24).
What are the key properties of 4,4-dimethyl-6-oxo-N,7-diphenylheptanamide?
4,4-dimethyl-6-oxo-N,7-diphenylheptanamide has a molecular weight of 323.44 g/mol, XLogP of 4.63, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-6-oxo-N,7-diphenylheptanamide is sourced from PubChem (CID 160928097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).