N,N-diethyl-4-(2,4,6-trimethylbenzoyl)benzamide

C21H25NO2 — CID 869554

IUPACN,N-diethyl-4-(2,4,6-trimethylbenzoyl)benzamide
SMILESCCN(CC)C(=O)c1ccc(C(=O)c2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C21H25NO2/c1-6-22(7-2)21(24)18-10-8-17(9-11-18)20(23)19-15(4)12-14(3)13-16(19)5/h8-13H,6-7H2,1-5H3
InChIKeyIJUDGERWGNGOPM-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.32
Rot. Bonds5

About N,N-diethyl-4-(2,4,6-trimethylbenzoyl)benzamide

N,N-diethyl-4-(2,4,6-trimethylbenzoyl)benzamide (PubChem CID 869554) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is N,N-diethyl-4-(2,4,6-trimethylbenzoyl)benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-(2,4,6-trimethylbenzoyl)benzamide
PubChem CID869554
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC NameN,N-diethyl-4-(2,4,6-trimethylbenzoyl)benzamide
SMILESCCN(CC)C(=O)c1ccc(C(=O)c2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C21H25NO2/c1-6-22(7-2)21(24)18-10-8-17(9-11-18)20(23)19-15(4)12-14(3)13-16(19)5/h8-13H,6-7H2,1-5H3
InChIKeyIJUDGERWGNGOPM-UHFFFAOYSA-N
XLogP4.32
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(diethylcarbamoyl)phenyl]-2,4,6-trimethylbenzamide
CID 112793726
(4-butan-2-ylphenyl)-(2,4,6-trimethylphenyl)methanone
CID 43337814
4-bromo-N,N-diethyl-3-methylbenzamide
CID 18960573
ethane;phenyl-(2,4,6-trimethylphenyl)methanone
CID 90795600
3-[[4-(diethylcarbamoyl)benzoyl]-ethylamino]propanoic acid
CID 120685979
bis[4-(N-ethyl-2,4,6-trimethylanilino)phenyl]methanone
CID 139567563
4-(diethylamino)-N,N-diethylbenzamide
CID 17310828
[4-(diethylcarbamoyl)phenyl] acetate
CID 683590
1-N,1-N,4-N-triethyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
CID 109048470
N,N-diethyl-4-methoxy-3-methylbenzamide
CID 10353462
[4-(diethylcarbamoyl)phenyl]-trimethylazanium
CID 122214787
2,6-dideuterio-N,N-diethyl-4-methylbenzamide
CID 24798842

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(2,4,6-trimethylbenzoyl)benzamide?
The IUPAC name of N,N-diethyl-4-(2,4,6-trimethylbenzoyl)benzamide (CID 869554) is N,N-diethyl-4-(2,4,6-trimethylbenzoyl)benzamide.
What is the SMILES notation for N,N-diethyl-4-(2,4,6-trimethylbenzoyl)benzamide?
The canonical SMILES for N,N-diethyl-4-(2,4,6-trimethylbenzoyl)benzamide is CCN(CC)C(=O)c1ccc(C(=O)c2c(C)cc(C)cc2C)cc1.
What is the InChIKey of N,N-diethyl-4-(2,4,6-trimethylbenzoyl)benzamide?
The InChIKey is IJUDGERWGNGOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c1-6-22(7-2)21(24)18-10-8-17(9-11-18)20(23)19-15(4)12-14(3)13-16(19)5/h8-13H,6-7H2,1-5H3.
What are the key properties of N,N-diethyl-4-(2,4,6-trimethylbenzoyl)benzamide?
N,N-diethyl-4-(2,4,6-trimethylbenzoyl)benzamide has a molecular weight of 323.44 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(2,4,6-trimethylbenzoyl)benzamide is sourced from PubChem (CID 869554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).