3-(2-cyanoanilino)-N-(3-methoxyphenyl)propanamide

C17H17N3O2 — CID 109039534

IUPAC3-(2-cyanoanilino)-N-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(NC(=O)CCNc2ccccc2C#N)c1
InChIInChI=1S/C17H17N3O2/c1-22-15-7-4-6-14(11-15)20-17(21)9-10-19-16-8-3-2-5-13(16)12-18/h2-8,11,19H,9-10H2,1H3,(H,20,21)
InChIKeyWZQATUDNURYMHJ-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.01
Rot. Bonds6

About 3-(2-cyanoanilino)-N-(3-methoxyphenyl)propanamide

3-(2-cyanoanilino)-N-(3-methoxyphenyl)propanamide (PubChem CID 109039534) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 3-(2-cyanoanilino)-N-(3-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(2-cyanoanilino)-N-(3-methoxyphenyl)propanamide
PubChem CID109039534
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name3-(2-cyanoanilino)-N-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(NC(=O)CCNc2ccccc2C#N)c1
InChIInChI=1S/C17H17N3O2/c1-22-15-7-4-6-14(11-15)20-17(21)9-10-19-16-8-3-2-5-13(16)12-18/h2-8,11,19H,9-10H2,1H3,(H,20,21)
InChIKeyWZQATUDNURYMHJ-UHFFFAOYSA-N
XLogP3.01
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromophenyl)-3-(2-cyanoanilino)propanamide
CID 109042155
3-(2,3-dichloroanilino)-N-(3-methoxyphenyl)propanamide
CID 109039529
3-N-(2-cyanophenyl)-1-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057632
3-(2-cyanoanilino)-N-(4-cyanophenyl)propanamide
CID 109042814
N-(3-methoxyphenyl)-3-(4-methylanilino)propanamide
CID 109034467
3-(2-cyanoanilino)-N-(2,3-dimethylphenyl)propanamide
CID 109036006
3-chloro-N-(3-methoxyphenyl)propanamide
CID 2785756
N-(3,5-dimethoxyphenyl)-3-(2-nitroanilino)propanamide
CID 16962807
N-[3-(3-methoxyanilino)-3-oxopropyl]-2,2-dimethylpropanamide
CID 18154986
2-(hydroxyamino)-N-(3-methoxyphenyl)acetamide
CID 12611733
N-[4-(dimethylamino)phenyl]-3-(3-methoxyanilino)propanamide
CID 109039563
2-[3-cyano-4-(methoxymethyl)anilino]-N-(3-methoxyphenyl)acetamide
CID 167917130

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyanoanilino)-N-(3-methoxyphenyl)propanamide?
The IUPAC name of 3-(2-cyanoanilino)-N-(3-methoxyphenyl)propanamide (CID 109039534) is 3-(2-cyanoanilino)-N-(3-methoxyphenyl)propanamide.
What is the SMILES notation for 3-(2-cyanoanilino)-N-(3-methoxyphenyl)propanamide?
The canonical SMILES for 3-(2-cyanoanilino)-N-(3-methoxyphenyl)propanamide is COc1cccc(NC(=O)CCNc2ccccc2C#N)c1.
What is the InChIKey of 3-(2-cyanoanilino)-N-(3-methoxyphenyl)propanamide?
The InChIKey is WZQATUDNURYMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-22-15-7-4-6-14(11-15)20-17(21)9-10-19-16-8-3-2-5-13(16)12-18/h2-8,11,19H,9-10H2,1H3,(H,20,21).
What are the key properties of 3-(2-cyanoanilino)-N-(3-methoxyphenyl)propanamide?
3-(2-cyanoanilino)-N-(3-methoxyphenyl)propanamide has a molecular weight of 295.34 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyanoanilino)-N-(3-methoxyphenyl)propanamide is sourced from PubChem (CID 109039534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).