N-(3,5-dimethylphenyl)-4-(2-ethylbutanoylamino)benzamide

C21H26N2O2 — CID 17309070

IUPACN-(3,5-dimethylphenyl)-4-(2-ethylbutanoylamino)benzamide
SMILESCCC(CC)C(=O)Nc1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1
InChIInChI=1S/C21H26N2O2/c1-5-16(6-2)20(24)22-18-9-7-17(8-10-18)21(25)23-19-12-14(3)11-15(4)13-19/h7-13,16H,5-6H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyDJCASQSMJXOQMP-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.93
Rot. Bonds6

About N-(3,5-dimethylphenyl)-4-(2-ethylbutanoylamino)benzamide

N-(3,5-dimethylphenyl)-4-(2-ethylbutanoylamino)benzamide (PubChem CID 17309070) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-4-(2-ethylbutanoylamino)benzamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-4-(2-ethylbutanoylamino)benzamide
PubChem CID17309070
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-(3,5-dimethylphenyl)-4-(2-ethylbutanoylamino)benzamide
SMILESCCC(CC)C(=O)Nc1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1
InChIInChI=1S/C21H26N2O2/c1-5-16(6-2)20(24)22-18-9-7-17(8-10-18)21(25)23-19-12-14(3)11-15(4)13-19/h7-13,16H,5-6H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyDJCASQSMJXOQMP-UHFFFAOYSA-N
XLogP4.93
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,5-dibromo-4-hydroxyphenyl)-4-(2-ethylbutanoylamino)benzamide
CID 17172041
N-(4-bromo-3-methylphenyl)-4-(2-ethylbutanoylamino)benzamide
CID 17309171
N-(3,5-dimethylphenyl)-4-(2-methylpropanoylamino)benzamide
CID 51179788
N-(2,5-dimethylphenyl)-4-(2-ethylbutanoylamino)benzamide
CID 17309132
4-(2-ethylbutanoylamino)-N-(2-methylphenyl)benzamide
CID 17309184
4-N-(3,5-dimethylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049661
4-(carbamoylamino)-N-(3,5-dimethylphenyl)benzamide
CID 26016677
4-(2-ethylbutanoylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 6458348
N-(4-bromophenyl)-3-(2-ethylbutanoylamino)benzamide
CID 1241654
N-(2,3-dimethylphenyl)-4-(2-ethylbutanoylamino)benzamide
CID 17309087
4-bromo-2-[[4-(2-ethylbutanoylamino)benzoyl]amino]benzoic acid
CID 17362944
N-[4-(2-bromobutanoyl)phenyl]-2-ethylbutanamide
CID 82258769

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-4-(2-ethylbutanoylamino)benzamide?
The IUPAC name of N-(3,5-dimethylphenyl)-4-(2-ethylbutanoylamino)benzamide (CID 17309070) is N-(3,5-dimethylphenyl)-4-(2-ethylbutanoylamino)benzamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-4-(2-ethylbutanoylamino)benzamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-4-(2-ethylbutanoylamino)benzamide is CCC(CC)C(=O)Nc1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1.
What is the InChIKey of N-(3,5-dimethylphenyl)-4-(2-ethylbutanoylamino)benzamide?
The InChIKey is DJCASQSMJXOQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-5-16(6-2)20(24)22-18-9-7-17(8-10-18)21(25)23-19-12-14(3)11-15(4)13-19/h7-13,16H,5-6H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of N-(3,5-dimethylphenyl)-4-(2-ethylbutanoylamino)benzamide?
N-(3,5-dimethylphenyl)-4-(2-ethylbutanoylamino)benzamide has a molecular weight of 338.45 g/mol, XLogP of 4.93, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-4-(2-ethylbutanoylamino)benzamide is sourced from PubChem (CID 17309070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).