4-N-(4-cyanophenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide

C18H17N3O3 — CID 109045241

IUPAC4-N-(4-cyanophenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide
SMILESCOCCNC(=O)c1ccc(C(=O)Nc2ccc(C#N)cc2)cc1
InChIInChI=1S/C18H17N3O3/c1-24-11-10-20-17(22)14-4-6-15(7-5-14)18(23)21-16-8-2-13(12-19)3-9-16/h2-9H,10-11H2,1H3,(H,20,22)(H,21,23)
InChIKeyTVODUEUNUNFBIE-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.19
Rot. Bonds6

About 4-N-(4-cyanophenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide

4-N-(4-cyanophenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide (PubChem CID 109045241) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 4-N-(4-cyanophenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(4-cyanophenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide
PubChem CID109045241
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name4-N-(4-cyanophenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide
SMILESCOCCNC(=O)c1ccc(C(=O)Nc2ccc(C#N)cc2)cc1
InChIInChI=1S/C18H17N3O3/c1-24-11-10-20-17(22)14-4-6-15(7-5-14)18(23)21-16-8-2-13(12-19)3-9-16/h2-9H,10-11H2,1H3,(H,20,22)(H,21,23)
InChIKeyTVODUEUNUNFBIE-UHFFFAOYSA-N
XLogP2.19
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-N-(4-acetylphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide
CID 109045198
4-[(4-fluorobenzoyl)amino]-N-(2-methoxyethyl)benzamide
CID 17218182
4-N-(4-ethoxyphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide
CID 109045187
1-N-(4-cyanophenyl)-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109050095
N-(2-methoxyethyl)-4-[(4-propoxybenzoyl)amino]benzamide
CID 17218276
methyl 2-[4-[(4-cyanobenzoyl)amino]phenyl]acetate
CID 36829844
N-(2-methoxyethyl)-4-[(4-pentoxybenzoyl)amino]benzamide
CID 17218273
1-N'-(4-cyanophenyl)-1-N-(2-methoxyethyl)cyclopropane-1,1-dicarboxamide
CID 108972843
4-(2,2-dimethylpropanoylamino)-N-(2-methoxyethyl)benzamide
CID 17218245
3-cyano-N-(2-methoxyethyl)benzamide
CID 24698142
N,N'-bis[4-(2-methoxyethylcarbamoyl)phenyl]hexanediamide
CID 17218594
4-N-(4-cyanophenyl)-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,4-dicarboxamide
CID 109047977

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-cyanophenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-(4-cyanophenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide (CID 109045241) is 4-N-(4-cyanophenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(4-cyanophenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-(4-cyanophenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide is COCCNC(=O)c1ccc(C(=O)Nc2ccc(C#N)cc2)cc1.
What is the InChIKey of 4-N-(4-cyanophenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide?
The InChIKey is TVODUEUNUNFBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-24-11-10-20-17(22)14-4-6-15(7-5-14)18(23)21-16-8-2-13(12-19)3-9-16/h2-9H,10-11H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 4-N-(4-cyanophenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide?
4-N-(4-cyanophenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide has a molecular weight of 323.35 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-cyanophenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109045241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).