3-(N-acetyl-4-cyanoanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide

C21H23N3O3 — CID 113135055

IUPAC3-(N-acetyl-4-cyanoanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccccc1CCNC(=O)CCN(C(C)=O)c1ccc(C#N)cc1
InChIInChI=1S/C21H23N3O3/c1-16(25)24(19-9-7-17(15-22)8-10-19)14-12-21(26)23-13-11-18-5-3-4-6-20(18)27-2/h3-10H,11-14H2,1-2H3,(H,23,26)
InChIKeyYVNNRIZAGQKTRO-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.67
Rot. Bonds8

About 3-(N-acetyl-4-cyanoanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide

3-(N-acetyl-4-cyanoanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide (PubChem CID 113135055) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 3-(N-acetyl-4-cyanoanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(N-acetyl-4-cyanoanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide
PubChem CID113135055
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name3-(N-acetyl-4-cyanoanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccccc1CCNC(=O)CCN(C(C)=O)c1ccc(C#N)cc1
InChIInChI=1S/C21H23N3O3/c1-16(25)24(19-9-7-17(15-22)8-10-19)14-12-21(26)23-13-11-18-5-3-4-6-20(18)27-2/h3-10H,11-14H2,1-2H3,(H,23,26)
InChIKeyYVNNRIZAGQKTRO-UHFFFAOYSA-N
XLogP2.67
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(N-acetylanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 113123377
3-(N-acetyl-2-fluoroanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 113126674
3-(N-acetyl-2,5-dimethylanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 113124333
N-[2-(N-acetyl-4-cyanoanilino)ethyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 113064357
N-[2-(N-acetyl-4-cyanoanilino)ethyl]-2-methoxybenzamide
CID 113064327
3-(N-acetyl-3,4-dimethoxyanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 113130221
3-[acetyl(benzyl)amino]-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 113118224
3-(4-cyano-N-methylsulfonylanilino)-N-[(2-methoxyphenyl)methyl]propanamide
CID 113146965
3-(N-acetyl-2-cyanoanilino)-N-[(2-methoxyphenyl)methyl]propanamide
CID 113134686
2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(4-cyanophenyl)acetamide
CID 113164626
N-[2-(N-acetyl-4-cyanoanilino)ethyl]pentanamide
CID 113064309
3-(N-acetyl-3,4-dimethoxyanilino)-N-(4-cyanophenyl)propanamide
CID 113130291

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-4-cyanoanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide?
The IUPAC name of 3-(N-acetyl-4-cyanoanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide (CID 113135055) is 3-(N-acetyl-4-cyanoanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(N-acetyl-4-cyanoanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide?
The canonical SMILES for 3-(N-acetyl-4-cyanoanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide is COc1ccccc1CCNC(=O)CCN(C(C)=O)c1ccc(C#N)cc1.
What is the InChIKey of 3-(N-acetyl-4-cyanoanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide?
The InChIKey is YVNNRIZAGQKTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-16(25)24(19-9-7-17(15-22)8-10-19)14-12-21(26)23-13-11-18-5-3-4-6-20(18)27-2/h3-10H,11-14H2,1-2H3,(H,23,26).
What are the key properties of 3-(N-acetyl-4-cyanoanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide?
3-(N-acetyl-4-cyanoanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide has a molecular weight of 365.43 g/mol, XLogP of 2.67, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-4-cyanoanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 113135055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).