3-(4-cyanoanilino)-N-(3,4-dimethoxyphenyl)propanamide

C18H19N3O3 — CID 109040577

IUPAC3-(4-cyanoanilino)-N-(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCNc2ccc(C#N)cc2)cc1OC
InChIInChI=1S/C18H19N3O3/c1-23-16-8-7-15(11-17(16)24-2)21-18(22)9-10-20-14-5-3-13(12-19)4-6-14/h3-8,11,20H,9-10H2,1-2H3,(H,21,22)
InChIKeyBAOUFBHRYXVPAG-UHFFFAOYSA-N
MW325.37 g/mol
LogP3.02
Rot. Bonds7

About 3-(4-cyanoanilino)-N-(3,4-dimethoxyphenyl)propanamide

3-(4-cyanoanilino)-N-(3,4-dimethoxyphenyl)propanamide (PubChem CID 109040577) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 3-(4-cyanoanilino)-N-(3,4-dimethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(4-cyanoanilino)-N-(3,4-dimethoxyphenyl)propanamide
PubChem CID109040577
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name3-(4-cyanoanilino)-N-(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCNc2ccc(C#N)cc2)cc1OC
InChIInChI=1S/C18H19N3O3/c1-23-16-8-7-15(11-17(16)24-2)21-18(22)9-10-20-14-5-3-13(12-19)4-6-14/h3-8,11,20H,9-10H2,1-2H3,(H,21,22)
InChIKeyBAOUFBHRYXVPAG-UHFFFAOYSA-N
XLogP3.02
TPSA83.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-cyanoanilino)-N-(3,4-dimethoxyphenyl)propanamide
CID 109040576
2-(4-cyanoanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 26437501
3-(4-cyanoanilino)-N-[(3,4-dimethoxyphenyl)methyl]propanamide
CID 109028224
3-(4-acetamidoanilino)-N-(4-cyanophenyl)propanamide
CID 109041283
3-(3,4-difluoroanilino)-N-(3,4-dimethoxyphenyl)propanamide
CID 109040581
N-(3-cyanophenyl)-3-(3,4,5-trimethoxyanilino)propanamide
CID 109042534
3-(4-cyanoanilino)-N-(3-methylphenyl)propanamide
CID 109034224
N-(3-bromo-4-methylphenyl)-3-(3,4-dimethoxyanilino)propanamide
CID 109039288
3-(4-cyanoanilino)-N-(4-ethoxyphenyl)propanamide
CID 109039917
N-(3-chloro-4-methoxyphenyl)-2-(4-cyanoanilino)acetamide
CID 26437475
N-(3-acetylphenyl)-3-(3,4-dimethoxyanilino)propanamide
CID 109040586
N-(3,4-dimethoxyphenyl)-5-fluoropentanamide
CID 24786653

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyanoanilino)-N-(3,4-dimethoxyphenyl)propanamide?
The IUPAC name of 3-(4-cyanoanilino)-N-(3,4-dimethoxyphenyl)propanamide (CID 109040577) is 3-(4-cyanoanilino)-N-(3,4-dimethoxyphenyl)propanamide.
What is the SMILES notation for 3-(4-cyanoanilino)-N-(3,4-dimethoxyphenyl)propanamide?
The canonical SMILES for 3-(4-cyanoanilino)-N-(3,4-dimethoxyphenyl)propanamide is COc1ccc(NC(=O)CCNc2ccc(C#N)cc2)cc1OC.
What is the InChIKey of 3-(4-cyanoanilino)-N-(3,4-dimethoxyphenyl)propanamide?
The InChIKey is BAOUFBHRYXVPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-23-16-8-7-15(11-17(16)24-2)21-18(22)9-10-20-14-5-3-13(12-19)4-6-14/h3-8,11,20H,9-10H2,1-2H3,(H,21,22).
What are the key properties of 3-(4-cyanoanilino)-N-(3,4-dimethoxyphenyl)propanamide?
3-(4-cyanoanilino)-N-(3,4-dimethoxyphenyl)propanamide has a molecular weight of 325.37 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyanoanilino)-N-(3,4-dimethoxyphenyl)propanamide is sourced from PubChem (CID 109040577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).