N-[4-(diethylcarbamoyl)phenyl]-2,4,6-trimethylbenzamide

C21H26N2O2 — CID 112793726

IUPACN-[4-(diethylcarbamoyl)phenyl]-2,4,6-trimethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)c2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C21H26N2O2/c1-6-23(7-2)21(25)17-8-10-18(11-9-17)22-20(24)19-15(4)12-14(3)13-16(19)5/h8-13H,6-7H2,1-5H3,(H,22,24)
InChIKeyJTAYAXQAOFRQBD-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.35
Rot. Bonds5

About N-[4-(diethylcarbamoyl)phenyl]-2,4,6-trimethylbenzamide

N-[4-(diethylcarbamoyl)phenyl]-2,4,6-trimethylbenzamide (PubChem CID 112793726) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[4-(diethylcarbamoyl)phenyl]-2,4,6-trimethylbenzamide.

Molecular Properties

Compound NameN-[4-(diethylcarbamoyl)phenyl]-2,4,6-trimethylbenzamide
PubChem CID112793726
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-[4-(diethylcarbamoyl)phenyl]-2,4,6-trimethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)c2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C21H26N2O2/c1-6-23(7-2)21(25)17-8-10-18(11-9-17)22-20(24)19-15(4)12-14(3)13-16(19)5/h8-13H,6-7H2,1-5H3,(H,22,24)
InChIKeyJTAYAXQAOFRQBD-UHFFFAOYSA-N
XLogP4.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diethyl-4-(2,4,6-trimethylbenzoyl)benzamide
CID 869554
N-[4-(diethylamino)phenyl]-2,4,6-trimethylbenzamide
CID 19167686
1-N-(4-acetamidophenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
CID 109048426
ethyl 4-[[4-(diethylcarbamoyl)benzoyl]amino]benzoate
CID 109048450
methyl 4-[[4-(diethylcarbamoyl)benzoyl]amino]benzoate
CID 109048429
4-[[2-(3,4-dimethylphenyl)acetyl]amino]-N,N-diethylbenzamide
CID 8503741
4-[[4-(2,5-dimethylpyrrol-1-yl)benzoyl]amino]-N,N-diethylbenzamide
CID 40512293
N-[4-[[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]phenyl]-3-methylbenzamide
CID 54840317
N,N-diethyl-4-[[2-(ethylamino)acetyl]amino]benzamide
CID 54820671
1-N-(3,4-difluorophenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
CID 109048473
1-N-(4-ethoxyphenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
CID 109048413
5-bromo-N-[4-(diethylcarbamoyl)phenyl]thiophene-3-carboxamide
CID 94042730

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylcarbamoyl)phenyl]-2,4,6-trimethylbenzamide?
The IUPAC name of N-[4-(diethylcarbamoyl)phenyl]-2,4,6-trimethylbenzamide (CID 112793726) is N-[4-(diethylcarbamoyl)phenyl]-2,4,6-trimethylbenzamide.
What is the SMILES notation for N-[4-(diethylcarbamoyl)phenyl]-2,4,6-trimethylbenzamide?
The canonical SMILES for N-[4-(diethylcarbamoyl)phenyl]-2,4,6-trimethylbenzamide is CCN(CC)C(=O)c1ccc(NC(=O)c2c(C)cc(C)cc2C)cc1.
What is the InChIKey of N-[4-(diethylcarbamoyl)phenyl]-2,4,6-trimethylbenzamide?
The InChIKey is JTAYAXQAOFRQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-6-23(7-2)21(25)17-8-10-18(11-9-17)22-20(24)19-15(4)12-14(3)13-16(19)5/h8-13H,6-7H2,1-5H3,(H,22,24).
What are the key properties of N-[4-(diethylcarbamoyl)phenyl]-2,4,6-trimethylbenzamide?
N-[4-(diethylcarbamoyl)phenyl]-2,4,6-trimethylbenzamide has a molecular weight of 338.45 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylcarbamoyl)phenyl]-2,4,6-trimethylbenzamide is sourced from PubChem (CID 112793726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).