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

C20H21N3O3 — CID 113134686

IUPAC3-(N-acetyl-2-cyanoanilino)-N-[(2-methoxyphenyl)methyl]propanamide
SMILESCOc1ccccc1CNC(=O)CCN(C(C)=O)c1ccccc1C#N
InChIInChI=1S/C20H21N3O3/c1-15(24)23(18-9-5-3-7-16(18)13-21)12-11-20(25)22-14-17-8-4-6-10-19(17)26-2/h3-10H,11-12,14H2,1-2H3,(H,22,25)
InChIKeyRNDXVSRMCXSOIC-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.63
Rot. Bonds7

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

3-(N-acetyl-2-cyanoanilino)-N-[(2-methoxyphenyl)methyl]propanamide (PubChem CID 113134686) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 3-(N-acetyl-2-cyanoanilino)-N-[(2-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2-cyanoanilino)-N-[(2-methoxyphenyl)methyl]propanamide
PubChem CID113134686
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name3-(N-acetyl-2-cyanoanilino)-N-[(2-methoxyphenyl)methyl]propanamide
SMILESCOc1ccccc1CNC(=O)CCN(C(C)=O)c1ccccc1C#N
InChIInChI=1S/C20H21N3O3/c1-15(24)23(18-9-5-3-7-16(18)13-21)12-11-20(25)22-14-17-8-4-6-10-19(17)26-2/h3-10H,11-12,14H2,1-2H3,(H,22,25)
InChIKeyRNDXVSRMCXSOIC-UHFFFAOYSA-N
XLogP2.63
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(N-acetyl-2-cyanoanilino)-N-[(4-chlorophenyl)methyl]propanamide
CID 113134685
3-(N-acetyl-2-cyanoanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 113134668
3-(N-acetyl-2-cyanoanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 113134695
3-(N-acetyl-2-methoxyanilino)-N-benzylpropanamide
CID 113128720
3-(N-acetyl-2-cyanoanilino)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 113134770
N-[2-(N-acetyl-2-cyanoanilino)ethyl]-3,4,5-trimethoxybenzamide
CID 113064117
3-[acetyl-[(2-methylphenyl)methyl]amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 113118403
3-(N-acetyl-2-fluoroanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 113126674
3-(N-acetyl-4-cyanoanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 113135055
3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 113133005
3-[acetyl(cyclopentyl)amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 113116340
3-[acetyl(butan-2-yl)amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 113116141

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2-cyanoanilino)-N-[(2-methoxyphenyl)methyl]propanamide?
The IUPAC name of 3-(N-acetyl-2-cyanoanilino)-N-[(2-methoxyphenyl)methyl]propanamide (CID 113134686) is 3-(N-acetyl-2-cyanoanilino)-N-[(2-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-(N-acetyl-2-cyanoanilino)-N-[(2-methoxyphenyl)methyl]propanamide?
The canonical SMILES for 3-(N-acetyl-2-cyanoanilino)-N-[(2-methoxyphenyl)methyl]propanamide is COc1ccccc1CNC(=O)CCN(C(C)=O)c1ccccc1C#N.
What is the InChIKey of 3-(N-acetyl-2-cyanoanilino)-N-[(2-methoxyphenyl)methyl]propanamide?
The InChIKey is RNDXVSRMCXSOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-15(24)23(18-9-5-3-7-16(18)13-21)12-11-20(25)22-14-17-8-4-6-10-19(17)26-2/h3-10H,11-12,14H2,1-2H3,(H,22,25).
What are the key properties of 3-(N-acetyl-2-cyanoanilino)-N-[(2-methoxyphenyl)methyl]propanamide?
3-(N-acetyl-2-cyanoanilino)-N-[(2-methoxyphenyl)methyl]propanamide has a molecular weight of 351.41 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2-cyanoanilino)-N-[(2-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 113134686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).