N-(2,6-diethylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide

C22H28N2O2 — CID 35339689

IUPACN-(2,6-diethylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide
SMILESCCc1cccc(CC)c1NC(=O)c1cccc(NC(=O)C(C)(C)C)c1
InChIInChI=1S/C22H28N2O2/c1-6-15-10-8-11-16(7-2)19(15)24-20(25)17-12-9-13-18(14-17)23-21(26)22(3,4)5/h8-14H,6-7H2,1-5H3,(H,23,26)(H,24,25)
InChIKeyQLAXVNAIXUDPJT-UHFFFAOYSA-N
MW352.48 g/mol
LogP5.05
Rot. Bonds5

About N-(2,6-diethylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide

N-(2,6-diethylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide (PubChem CID 35339689) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide
PubChem CID35339689
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC NameN-(2,6-diethylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide
SMILESCCc1cccc(CC)c1NC(=O)c1cccc(NC(=O)C(C)(C)C)c1
InChIInChI=1S/C22H28N2O2/c1-6-15-10-8-11-16(7-2)19(15)24-20(25)17-12-9-13-18(14-17)23-21(26)22(3,4)5/h8-14H,6-7H2,1-5H3,(H,23,26)(H,24,25)
InChIKeyQLAXVNAIXUDPJT-UHFFFAOYSA-N
XLogP5.05
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.48
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]-N-methylbenzamide
CID 134050295
3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]benzamide
CID 17297099
3-(2,2-dimethylpropanoylamino)-N-[2-(2-methylpropanoylamino)ethyl]benzamide
CID 25497310
3-(2,2-dimethylpropanoylamino)-N-(4-hydroxyphenyl)benzamide
CID 789614
3-(2,2-dimethylpropanoylamino)-N-(4-ethylsulfonylphenyl)benzamide
CID 35781376
N-(2,6-diethylphenyl)-3-(2,3-dihydroxypropylamino)benzamide
CID 168594455
N-(4-bromophenyl)-3-(2,2-dimethylpropanoylamino)benzamide
CID 1368374
N-(4-carbamoylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide
CID 29404148
5-(tert-butylamino)-N-(2,6-diethylphenyl)pyridine-3-carboxamide
CID 109239408
3-(2,2-dimethylpropanoylamino)-N-naphthalen-1-ylbenzamide
CID 35186877
3-(2,2-dimethylpropanoylamino)-N-propan-2-ylbenzamide
CID 17197425
N-(3-acetylphenyl)-3,5-bis(2,2-dimethylpropanoylamino)benzamide
CID 17171661

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide?
The IUPAC name of N-(2,6-diethylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide (CID 35339689) is N-(2,6-diethylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide?
The canonical SMILES for N-(2,6-diethylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide is CCc1cccc(CC)c1NC(=O)c1cccc(NC(=O)C(C)(C)C)c1.
What is the InChIKey of N-(2,6-diethylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide?
The InChIKey is QLAXVNAIXUDPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-6-15-10-8-11-16(7-2)19(15)24-20(25)17-12-9-13-18(14-17)23-21(26)22(3,4)5/h8-14H,6-7H2,1-5H3,(H,23,26)(H,24,25).
What are the key properties of N-(2,6-diethylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide?
N-(2,6-diethylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide has a molecular weight of 352.48 g/mol, XLogP of 5.05, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide is sourced from PubChem (CID 35339689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).