3-N-butan-2-yl-1-N-(2-ethyl-6-methylphenyl)benzene-1,3-dicarboxamide

C21H26N2O2 — CID 109051527

IUPAC3-N-butan-2-yl-1-N-(2-ethyl-6-methylphenyl)benzene-1,3-dicarboxamide
SMILESCCc1cccc(C)c1NC(=O)c1cccc(C(=O)NC(C)CC)c1
InChIInChI=1S/C21H26N2O2/c1-5-15(4)22-20(24)17-11-8-12-18(13-17)21(25)23-19-14(3)9-7-10-16(19)6-2/h7-13,15H,5-6H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyLLHHAQAWVQYSLA-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.34
Rot. Bonds6

About 3-N-butan-2-yl-1-N-(2-ethyl-6-methylphenyl)benzene-1,3-dicarboxamide

3-N-butan-2-yl-1-N-(2-ethyl-6-methylphenyl)benzene-1,3-dicarboxamide (PubChem CID 109051527) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 3-N-butan-2-yl-1-N-(2-ethyl-6-methylphenyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-butan-2-yl-1-N-(2-ethyl-6-methylphenyl)benzene-1,3-dicarboxamide
PubChem CID109051527
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name3-N-butan-2-yl-1-N-(2-ethyl-6-methylphenyl)benzene-1,3-dicarboxamide
SMILESCCc1cccc(C)c1NC(=O)c1cccc(C(=O)NC(C)CC)c1
InChIInChI=1S/C21H26N2O2/c1-5-15(4)22-20(24)17-11-8-12-18(13-17)21(25)23-19-14(3)9-7-10-16(19)6-2/h7-13,15H,5-6H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyLLHHAQAWVQYSLA-UHFFFAOYSA-N
XLogP4.34
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 ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-butan-2-yl-1-N-(2-methylphenyl)benzene-1,3-dicarboxamide
CID 109051512
6-N-butan-2-yl-2-N-(2-ethyl-6-methylphenyl)pyridine-2,6-dicarboxamide
CID 109094666
3-N-(2-ethyl-6-methylphenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide
CID 109101431
3-carbamothioyl-N-(2-ethyl-6-methylphenyl)benzamide
CID 24697035
N-(2-ethyl-6-methylphenyl)-3-sulfanylbenzamide
CID 107019745
3-N-butan-2-yl-1-N-(4-ethylphenyl)benzene-1,3-dicarboxamide
CID 109051525
N-(2-ethyl-6-methylphenyl)-3,4-dihydroxybenzamide
CID 113199272
3-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 54833789
N-(2-ethyl-6-methylphenyl)-3-iodo-4-methylbenzamide
CID 4936097
3-bromo-N-(2-ethyl-6-methylphenyl)-4-methylbenzamide
CID 4936095
N-(2-ethyl-6-methylphenyl)-3-methyl-4-(methylamino)benzamide
CID 63209862
N-[3-[[(2R)-butan-2-yl]carbamoyl]phenyl]-2-methylbenzamide
CID 42427396

Frequently Asked Questions

What is the IUPAC name of 3-N-butan-2-yl-1-N-(2-ethyl-6-methylphenyl)benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-butan-2-yl-1-N-(2-ethyl-6-methylphenyl)benzene-1,3-dicarboxamide (CID 109051527) is 3-N-butan-2-yl-1-N-(2-ethyl-6-methylphenyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-butan-2-yl-1-N-(2-ethyl-6-methylphenyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-butan-2-yl-1-N-(2-ethyl-6-methylphenyl)benzene-1,3-dicarboxamide is CCc1cccc(C)c1NC(=O)c1cccc(C(=O)NC(C)CC)c1.
What is the InChIKey of 3-N-butan-2-yl-1-N-(2-ethyl-6-methylphenyl)benzene-1,3-dicarboxamide?
The InChIKey is LLHHAQAWVQYSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-5-15(4)22-20(24)17-11-8-12-18(13-17)21(25)23-19-14(3)9-7-10-16(19)6-2/h7-13,15H,5-6H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of 3-N-butan-2-yl-1-N-(2-ethyl-6-methylphenyl)benzene-1,3-dicarboxamide?
3-N-butan-2-yl-1-N-(2-ethyl-6-methylphenyl)benzene-1,3-dicarboxamide has a molecular weight of 338.45 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-butan-2-yl-1-N-(2-ethyl-6-methylphenyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109051527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).