1-N-(4-ethoxyphenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide

C19H22N2O3 — CID 109050601

IUPAC1-N-(4-ethoxyphenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide
SMILESCCOc1ccc(NC(=O)c2cccc(C(=O)NC(C)C)c2)cc1
InChIInChI=1S/C19H22N2O3/c1-4-24-17-10-8-16(9-11-17)21-19(23)15-7-5-6-14(12-15)18(22)20-13(2)3/h5-13H,4H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyAFDPCBMPBSSZJF-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.48
Rot. Bonds6

About 1-N-(4-ethoxyphenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide

1-N-(4-ethoxyphenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide (PubChem CID 109050601) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-N-(4-ethoxyphenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-ethoxyphenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide
PubChem CID109050601
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name1-N-(4-ethoxyphenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide
SMILESCCOc1ccc(NC(=O)c2cccc(C(=O)NC(C)C)c2)cc1
InChIInChI=1S/C19H22N2O3/c1-4-24-17-10-8-16(9-11-17)21-19(23)15-7-5-6-14(12-15)18(22)20-13(2)3/h5-13H,4H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyAFDPCBMPBSSZJF-UHFFFAOYSA-N
XLogP3.48
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-(4-ethoxyphenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide
CID 109056979
3-[(3-ethoxybenzoyl)amino]-N-propan-2-ylbenzamide
CID 17197485
3-N-(3,5-dimethylphenyl)-1-N-(4-ethoxyphenyl)benzene-1,3-dicarboxamide
CID 109057223
1-N-(4-cyanophenyl)-3-N-(4-ethoxyphenyl)benzene-1,3-dicarboxamide
CID 109057669
3-acetamido-N-(4-ethoxyphenyl)benzamide
CID 17396899
2-N-(4-ethoxyphenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109078141
3-butoxy-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 26157613
3-bromo-N-[4-(4-ethoxyphenoxy)phenyl]benzamide
CID 7925302
N-[4-(propan-2-ylcarbamoyl)phenyl]-3-propoxybenzamide
CID 26157621
3-[(4-ethoxybenzoyl)amino]-N-(4-methoxyphenyl)benzamide
CID 1228510
1-N-(4-ethoxyphenyl)-3-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide
CID 109057672
3-(difluoromethoxy)-N-[4-(4-ethoxyphenoxy)phenyl]benzamide
CID 7925305

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-ethoxyphenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide?
The IUPAC name of 1-N-(4-ethoxyphenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide (CID 109050601) is 1-N-(4-ethoxyphenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(4-ethoxyphenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-(4-ethoxyphenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide is CCOc1ccc(NC(=O)c2cccc(C(=O)NC(C)C)c2)cc1.
What is the InChIKey of 1-N-(4-ethoxyphenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide?
The InChIKey is AFDPCBMPBSSZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-4-24-17-10-8-16(9-11-17)21-19(23)15-7-5-6-14(12-15)18(22)20-13(2)3/h5-13H,4H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of 1-N-(4-ethoxyphenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide?
1-N-(4-ethoxyphenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide has a molecular weight of 326.40 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-ethoxyphenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 109050601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).