1-N-(3-cyanophenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide

C21H23N3O2 — CID 109056658

IUPAC1-N-(3-cyanophenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
SMILESCCCN(CCC)C(=O)c1cccc(C(=O)Nc2cccc(C#N)c2)c1
InChIInChI=1S/C21H23N3O2/c1-3-11-24(12-4-2)21(26)18-9-6-8-17(14-18)20(25)23-19-10-5-7-16(13-19)15-22/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,23,25)
InChIKeyHEIVSEADZWNPQP-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.07
Rot. Bonds7

About 1-N-(3-cyanophenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide

1-N-(3-cyanophenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide (PubChem CID 109056658) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 1-N-(3-cyanophenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-cyanophenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
PubChem CID109056658
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name1-N-(3-cyanophenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
SMILESCCCN(CCC)C(=O)c1cccc(C(=O)Nc2cccc(C#N)c2)c1
InChIInChI=1S/C21H23N3O2/c1-3-11-24(12-4-2)21(26)18-9-6-8-17(14-18)20(25)23-19-10-5-7-16(13-19)15-22/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,23,25)
InChIKeyHEIVSEADZWNPQP-UHFFFAOYSA-N
XLogP4.07
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(3-fluorophenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 109056649
methyl 3-[[3-(dipropylcarbamoyl)benzoyl]amino]benzoate
CID 109056644
1-N-(3,5-dimethylphenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 109056605
1-N-(4-chlorophenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 109056617
ethyl 2-[(3-cyanophenyl)carbamoyl-propylamino]acetate
CID 61008516
1-N-(3-chloro-4-methylphenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 109056621
2-[acetyl(propyl)amino]-N-(3-cyanophenyl)acetamide
CID 113158090
1-N-(3-cyanophenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057633
3-[(4-methoxybenzoyl)amino]-N,N-dipropylbenzamide
CID 26162261
N-(3-cyanophenyl)-4-ethylbenzamide
CID 2552285
N-(3-cyanophenyl)-3-methoxybenzamide
CID 2707607
3-N-butyl-1-N-(4-cyanophenyl)-3-N-methylbenzene-1,3-dicarboxamide
CID 109056438

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-cyanophenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide?
The IUPAC name of 1-N-(3-cyanophenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide (CID 109056658) is 1-N-(3-cyanophenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(3-cyanophenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-(3-cyanophenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide is CCCN(CCC)C(=O)c1cccc(C(=O)Nc2cccc(C#N)c2)c1.
What is the InChIKey of 1-N-(3-cyanophenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide?
The InChIKey is HEIVSEADZWNPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-3-11-24(12-4-2)21(26)18-9-6-8-17(14-18)20(25)23-19-10-5-7-16(13-19)15-22/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,23,25).
What are the key properties of 1-N-(3-cyanophenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide?
1-N-(3-cyanophenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide has a molecular weight of 349.43 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-cyanophenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 109056658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).