3-N-(3-acetamidophenyl)-1-N-(2-methylpropyl)benzene-1,3-dicarboxamide

C20H23N3O3 — CID 109051379

IUPAC3-N-(3-acetamidophenyl)-1-N-(2-methylpropyl)benzene-1,3-dicarboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2cccc(C(=O)NCC(C)C)c2)c1
InChIInChI=1S/C20H23N3O3/c1-13(2)12-21-19(25)15-6-4-7-16(10-15)20(26)23-18-9-5-8-17(11-18)22-14(3)24/h4-11,13H,12H2,1-3H3,(H,21,25)(H,22,24)(H,23,26)
InChIKeyOZADCDLWSMLMCI-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.28
Rot. Bonds6

About 3-N-(3-acetamidophenyl)-1-N-(2-methylpropyl)benzene-1,3-dicarboxamide

3-N-(3-acetamidophenyl)-1-N-(2-methylpropyl)benzene-1,3-dicarboxamide (PubChem CID 109051379) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 3-N-(3-acetamidophenyl)-1-N-(2-methylpropyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(3-acetamidophenyl)-1-N-(2-methylpropyl)benzene-1,3-dicarboxamide
PubChem CID109051379
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name3-N-(3-acetamidophenyl)-1-N-(2-methylpropyl)benzene-1,3-dicarboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2cccc(C(=O)NCC(C)C)c2)c1
InChIInChI=1S/C20H23N3O3/c1-13(2)12-21-19(25)15-6-4-7-16(10-15)20(26)23-18-9-5-8-17(11-18)22-14(3)24/h4-11,13H,12H2,1-3H3,(H,21,25)(H,22,24)(H,23,26)
InChIKeyOZADCDLWSMLMCI-UHFFFAOYSA-N
XLogP3.28
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(3-acetamidophenyl)-4-N-(2-methylpropyl)pyridine-2,4-dicarboxamide
CID 109079698
3-N-(3-acetamidophenyl)-1-N-propylbenzene-1,3-dicarboxamide
CID 109050420
N-[3-(2-methylpropylcarbamoyl)phenyl]pyridazine-4-carboxamide
CID 131898619
3-acetamido-N-(3-methylbutyl)benzamide
CID 17458569
methyl 3-[[5-(2-methylpropylcarbamoyl)pyridine-3-carbonyl]amino]benzoate
CID 109102240
3-(cyclopropanecarbonylamino)-N-(2-methylpropyl)benzamide
CID 40603945
N-ethyl-3-(2-methylpropylcarbamoylamino)benzamide
CID 47200674
methyl 3-(2-methylpropylcarbamoyl)benzoate
CID 108786629
N-(2-methylpropyl)-3-[[(2R)-2-phenoxypropanoyl]amino]benzamide
CID 976970
5-bromo-N-[3-(2-methylpropylcarbamoyl)phenyl]furan-2-carboxamide
CID 9323689
N-(3-acetamidophenyl)-3-methylbenzamide
CID 766081
3-acetamido-N-ethylbenzamide
CID 17230670

Frequently Asked Questions

What is the IUPAC name of 3-N-(3-acetamidophenyl)-1-N-(2-methylpropyl)benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-(3-acetamidophenyl)-1-N-(2-methylpropyl)benzene-1,3-dicarboxamide (CID 109051379) is 3-N-(3-acetamidophenyl)-1-N-(2-methylpropyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(3-acetamidophenyl)-1-N-(2-methylpropyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-(3-acetamidophenyl)-1-N-(2-methylpropyl)benzene-1,3-dicarboxamide is CC(=O)Nc1cccc(NC(=O)c2cccc(C(=O)NCC(C)C)c2)c1.
What is the InChIKey of 3-N-(3-acetamidophenyl)-1-N-(2-methylpropyl)benzene-1,3-dicarboxamide?
The InChIKey is OZADCDLWSMLMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-13(2)12-21-19(25)15-6-4-7-16(10-15)20(26)23-18-9-5-8-17(11-18)22-14(3)24/h4-11,13H,12H2,1-3H3,(H,21,25)(H,22,24)(H,23,26).
What are the key properties of 3-N-(3-acetamidophenyl)-1-N-(2-methylpropyl)benzene-1,3-dicarboxamide?
3-N-(3-acetamidophenyl)-1-N-(2-methylpropyl)benzene-1,3-dicarboxamide has a molecular weight of 353.42 g/mol, XLogP of 3.28, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3-acetamidophenyl)-1-N-(2-methylpropyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109051379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).