3-(3-cyanoanilino)-N-[(2-methoxyphenyl)methyl]propanamide

C18H19N3O2 — CID 109022093

IUPAC3-(3-cyanoanilino)-N-[(2-methoxyphenyl)methyl]propanamide
SMILESCOc1ccccc1CNC(=O)CCNc1cccc(C#N)c1
InChIInChI=1S/C18H19N3O2/c1-23-17-8-3-2-6-15(17)13-21-18(22)9-10-20-16-7-4-5-14(11-16)12-19/h2-8,11,20H,9-10,13H2,1H3,(H,21,22)
InChIKeyVTKRDJMPZRNHPS-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.69
Rot. Bonds7

About 3-(3-cyanoanilino)-N-[(2-methoxyphenyl)methyl]propanamide

3-(3-cyanoanilino)-N-[(2-methoxyphenyl)methyl]propanamide (PubChem CID 109022093) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 3-(3-cyanoanilino)-N-[(2-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(3-cyanoanilino)-N-[(2-methoxyphenyl)methyl]propanamide
PubChem CID109022093
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name3-(3-cyanoanilino)-N-[(2-methoxyphenyl)methyl]propanamide
SMILESCOc1ccccc1CNC(=O)CCNc1cccc(C#N)c1
InChIInChI=1S/C18H19N3O2/c1-23-17-8-3-2-6-15(17)13-21-18(22)9-10-20-16-7-4-5-14(11-16)12-19/h2-8,11,20H,9-10,13H2,1H3,(H,21,22)
InChIKeyVTKRDJMPZRNHPS-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methoxyphenyl)methyl]-3-(4-methylanilino)propanamide
CID 109021998
3-(3-cyanoanilino)-N-(3,4-dimethoxyphenyl)propanamide
CID 109040576
N-(3-cyanophenyl)-3-(3,4,5-trimethoxyanilino)propanamide
CID 109042534
3-(3-cyanoanilino)-N-methylpropanamide
CID 62324196
3-(3-cyanoanilino)-N-[3-(dimethylamino)propyl]propanamide
CID 109017019
methyl 3-(3-cyanoanilino)propanoate;hydrochloride
CID 69208623
3-(3,4-dimethoxyanilino)-N-[(2-methylphenyl)methyl]propanamide
CID 109019185
3-(2,5-dimethylanilino)-N-[(2-methoxyphenyl)methyl]propanamide
CID 109022003
3-(2-ethyl-6-methylanilino)-N-[(2-methoxyphenyl)methyl]propanamide
CID 109022011
3-(3-cyanoanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 109023612
2-(3-cyanoanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109306327
3-N-(3-cyanophenyl)-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
CID 109055476

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyanoanilino)-N-[(2-methoxyphenyl)methyl]propanamide?
The IUPAC name of 3-(3-cyanoanilino)-N-[(2-methoxyphenyl)methyl]propanamide (CID 109022093) is 3-(3-cyanoanilino)-N-[(2-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-(3-cyanoanilino)-N-[(2-methoxyphenyl)methyl]propanamide?
The canonical SMILES for 3-(3-cyanoanilino)-N-[(2-methoxyphenyl)methyl]propanamide is COc1ccccc1CNC(=O)CCNc1cccc(C#N)c1.
What is the InChIKey of 3-(3-cyanoanilino)-N-[(2-methoxyphenyl)methyl]propanamide?
The InChIKey is VTKRDJMPZRNHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-23-17-8-3-2-6-15(17)13-21-18(22)9-10-20-16-7-4-5-14(11-16)12-19/h2-8,11,20H,9-10,13H2,1H3,(H,21,22).
What are the key properties of 3-(3-cyanoanilino)-N-[(2-methoxyphenyl)methyl]propanamide?
3-(3-cyanoanilino)-N-[(2-methoxyphenyl)methyl]propanamide has a molecular weight of 309.37 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyanoanilino)-N-[(2-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 109022093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).