3-(4-cyanoanilino)-N-(4-ethoxyphenyl)propanamide

C18H19N3O2 — CID 109039917

IUPAC3-(4-cyanoanilino)-N-(4-ethoxyphenyl)propanamide
SMILESCCOc1ccc(NC(=O)CCNc2ccc(C#N)cc2)cc1
InChIInChI=1S/C18H19N3O2/c1-2-23-17-9-7-16(8-10-17)21-18(22)11-12-20-15-5-3-14(13-19)4-6-15/h3-10,20H,2,11-12H2,1H3,(H,21,22)
InChIKeyVLBNXIDRFJUWKD-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.40
Rot. Bonds7

About 3-(4-cyanoanilino)-N-(4-ethoxyphenyl)propanamide

3-(4-cyanoanilino)-N-(4-ethoxyphenyl)propanamide (PubChem CID 109039917) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 3-(4-cyanoanilino)-N-(4-ethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(4-cyanoanilino)-N-(4-ethoxyphenyl)propanamide
PubChem CID109039917
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name3-(4-cyanoanilino)-N-(4-ethoxyphenyl)propanamide
SMILESCCOc1ccc(NC(=O)CCNc2ccc(C#N)cc2)cc1
InChIInChI=1S/C18H19N3O2/c1-2-23-17-9-7-16(8-10-17)21-18(22)11-12-20-15-5-3-14(13-19)4-6-15/h3-10,20H,2,11-12H2,1H3,(H,21,22)
InChIKeyVLBNXIDRFJUWKD-UHFFFAOYSA-N
XLogP3.40
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-acetamidoanilino)-N-(4-cyanophenyl)propanamide
CID 109041283
3-(4-acetylanilino)-N-(4-ethoxyphenyl)propanamide
CID 109039871
3-(4-cyanoanilino)-N-[4-(diethylamino)phenyl]propanamide
CID 109041719
4-[[2-(4-cyanoanilino)acetyl]amino]-N-(4-ethoxyphenyl)benzamide
CID 26437531
N-(3,4-dimethylphenyl)-3-(4-ethoxyanilino)propanamide
CID 109035452
3-(4-cyanoanilino)-N-methylpropanamide
CID 60967721
N-(3-chloro-4-methylphenyl)-3-(4-ethoxyanilino)propanamide
CID 109038619
3-(4-cyanoanilino)-N-(3,4-dimethoxyphenyl)propanamide
CID 109040577
3-(3-chloroanilino)-N-(4-ethoxyphenyl)propanamide
CID 109038041
1-(4-cyanophenyl)-3-(4-ethoxyphenyl)thiourea
CID 23904984
N,N'-bis(4-ethoxyphenyl)nonanediamide
CID 4507995
3-(4-cyanoanilino)-N-(3-methylphenyl)propanamide
CID 109034224

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyanoanilino)-N-(4-ethoxyphenyl)propanamide?
The IUPAC name of 3-(4-cyanoanilino)-N-(4-ethoxyphenyl)propanamide (CID 109039917) is 3-(4-cyanoanilino)-N-(4-ethoxyphenyl)propanamide.
What is the SMILES notation for 3-(4-cyanoanilino)-N-(4-ethoxyphenyl)propanamide?
The canonical SMILES for 3-(4-cyanoanilino)-N-(4-ethoxyphenyl)propanamide is CCOc1ccc(NC(=O)CCNc2ccc(C#N)cc2)cc1.
What is the InChIKey of 3-(4-cyanoanilino)-N-(4-ethoxyphenyl)propanamide?
The InChIKey is VLBNXIDRFJUWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-2-23-17-9-7-16(8-10-17)21-18(22)11-12-20-15-5-3-14(13-19)4-6-15/h3-10,20H,2,11-12H2,1H3,(H,21,22).
What are the key properties of 3-(4-cyanoanilino)-N-(4-ethoxyphenyl)propanamide?
3-(4-cyanoanilino)-N-(4-ethoxyphenyl)propanamide has a molecular weight of 309.37 g/mol, XLogP of 3.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyanoanilino)-N-(4-ethoxyphenyl)propanamide is sourced from PubChem (CID 109039917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).