3-N-(3-acetamidophenyl)-1-N-propylbenzene-1,3-dicarboxamide

C19H21N3O3 — CID 109050420

IUPAC3-N-(3-acetamidophenyl)-1-N-propylbenzene-1,3-dicarboxamide
SMILESCCCNC(=O)c1cccc(C(=O)Nc2cccc(NC(C)=O)c2)c1
InChIInChI=1S/C19H21N3O3/c1-3-10-20-18(24)14-6-4-7-15(11-14)19(25)22-17-9-5-8-16(12-17)21-13(2)23/h4-9,11-12H,3,10H2,1-2H3,(H,20,24)(H,21,23)(H,22,25)
InChIKeySCEOKXMFSKXBOF-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.04
Rot. Bonds6

About 3-N-(3-acetamidophenyl)-1-N-propylbenzene-1,3-dicarboxamide

3-N-(3-acetamidophenyl)-1-N-propylbenzene-1,3-dicarboxamide (PubChem CID 109050420) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 3-N-(3-acetamidophenyl)-1-N-propylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(3-acetamidophenyl)-1-N-propylbenzene-1,3-dicarboxamide
PubChem CID109050420
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name3-N-(3-acetamidophenyl)-1-N-propylbenzene-1,3-dicarboxamide
SMILESCCCNC(=O)c1cccc(C(=O)Nc2cccc(NC(C)=O)c2)c1
InChIInChI=1S/C19H21N3O3/c1-3-10-20-18(24)14-6-4-7-15(11-14)19(25)22-17-9-5-8-16(12-17)21-13(2)23/h4-9,11-12H,3,10H2,1-2H3,(H,20,24)(H,21,23)(H,22,25)
InChIKeySCEOKXMFSKXBOF-UHFFFAOYSA-N
XLogP3.04
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-4-methyl-N-[3-(propylcarbamoyl)phenyl]benzamide
CID 86991520
5-N-(3-acetamidophenyl)-3-N-butylpyridine-3,5-dicarboxamide
CID 109102049
3-N-(4-ethylphenyl)-1-N-propylbenzene-1,3-dicarboxamide
CID 109050379
3-N-(3-acetamidophenyl)-1-N-(2-methylpropyl)benzene-1,3-dicarboxamide
CID 109051379
6-N-(3-acetamidophenyl)-2-N-propylpyridine-2,6-dicarboxamide
CID 109093563
3-acetamido-N-ethylbenzamide
CID 17230670
3-N-(4-bromo-3-methylphenyl)-1-N-propylbenzene-1,3-dicarboxamide
CID 109050442
3-fluoro-4-methyl-N-[3-(propylcarbamoyl)phenyl]benzamide
CID 46465371
3-N-[4-(diethylamino)phenyl]-1-N-propylbenzene-1,3-dicarboxamide
CID 109050428
1-N-methyl-3-N-propylbenzene-1,3-dicarboxamide
CID 69320035
3-[(3-butoxybenzoyl)amino]-N-propylbenzamide
CID 17222720
3-[(2-aminoacetyl)amino]-N-propylbenzamide;hydrochloride
CID 119283116

Frequently Asked Questions

What is the IUPAC name of 3-N-(3-acetamidophenyl)-1-N-propylbenzene-1,3-dicarboxamide?
The IUPAC name of 3-N-(3-acetamidophenyl)-1-N-propylbenzene-1,3-dicarboxamide (CID 109050420) is 3-N-(3-acetamidophenyl)-1-N-propylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(3-acetamidophenyl)-1-N-propylbenzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-(3-acetamidophenyl)-1-N-propylbenzene-1,3-dicarboxamide is CCCNC(=O)c1cccc(C(=O)Nc2cccc(NC(C)=O)c2)c1.
What is the InChIKey of 3-N-(3-acetamidophenyl)-1-N-propylbenzene-1,3-dicarboxamide?
The InChIKey is SCEOKXMFSKXBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-3-10-20-18(24)14-6-4-7-15(11-14)19(25)22-17-9-5-8-16(12-17)21-13(2)23/h4-9,11-12H,3,10H2,1-2H3,(H,20,24)(H,21,23)(H,22,25).
What are the key properties of 3-N-(3-acetamidophenyl)-1-N-propylbenzene-1,3-dicarboxamide?
3-N-(3-acetamidophenyl)-1-N-propylbenzene-1,3-dicarboxamide has a molecular weight of 339.40 g/mol, XLogP of 3.04, 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-propylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 109050420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).