3-[acetyl(2-methoxyethyl)amino]-N-(4-cyanophenyl)propanamide

C15H19N3O3 — CID 113117060

IUPAC3-[acetyl(2-methoxyethyl)amino]-N-(4-cyanophenyl)propanamide
SMILESCOCCN(CCC(=O)Nc1ccc(C#N)cc1)C(C)=O
InChIInChI=1S/C15H19N3O3/c1-12(19)18(9-10-21-2)8-7-15(20)17-14-5-3-13(11-16)4-6-14/h3-6H,7-10H2,1-2H3,(H,17,20)
InChIKeyKFHNOVCFMOMNQK-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.38
Rot. Bonds7

About 3-[acetyl(2-methoxyethyl)amino]-N-(4-cyanophenyl)propanamide

3-[acetyl(2-methoxyethyl)amino]-N-(4-cyanophenyl)propanamide (PubChem CID 113117060) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 3-[acetyl(2-methoxyethyl)amino]-N-(4-cyanophenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(2-methoxyethyl)amino]-N-(4-cyanophenyl)propanamide
PubChem CID113117060
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name3-[acetyl(2-methoxyethyl)amino]-N-(4-cyanophenyl)propanamide
SMILESCOCCN(CCC(=O)Nc1ccc(C#N)cc1)C(C)=O
InChIInChI=1S/C15H19N3O3/c1-12(19)18(9-10-21-2)8-7-15(20)17-14-5-3-13(11-16)4-6-14/h3-6H,7-10H2,1-2H3,(H,17,20)
InChIKeyKFHNOVCFMOMNQK-UHFFFAOYSA-N
XLogP1.38
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-cyanophenyl)-3-[cyclopropyl(2-methoxyethyl)amino]propanamide
CID 61451516
N-(4-cyanophenyl)-4-[ethyl(2-methoxyethyl)amino]butanamide
CID 61448568
3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(4-cyanophenyl)propanamide
CID 113122110
N-(4-cyanophenyl)-2-[ethyl(2-methoxyethyl)amino]acetamide
CID 61448468
3-[acetyl(cyclohexyl)amino]-N-(4-cyanophenyl)propanamide
CID 113116695
methyl 4-(4-cyanoanilino)-4-oxobutanoate
CID 721957
3-[acetyl(3-methoxypropyl)amino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 113117197
3-(N-acetyl-3,4-dimethoxyanilino)-N-(4-cyanophenyl)propanamide
CID 113130291
3-(N-acetyl-4-cyanoanilino)-N-(4-fluorophenyl)propanamide
CID 113135117
N,N'-bis(4-cyanophenyl)pentanediamide
CID 730657
3-(N-acetyl-2-methoxy-5-methylanilino)-N-(4-cyanophenyl)propanamide
CID 113129676
3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-(4-propan-2-ylphenyl)propanamide
CID 113122393

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(2-methoxyethyl)amino]-N-(4-cyanophenyl)propanamide?
The IUPAC name of 3-[acetyl(2-methoxyethyl)amino]-N-(4-cyanophenyl)propanamide (CID 113117060) is 3-[acetyl(2-methoxyethyl)amino]-N-(4-cyanophenyl)propanamide.
What is the SMILES notation for 3-[acetyl(2-methoxyethyl)amino]-N-(4-cyanophenyl)propanamide?
The canonical SMILES for 3-[acetyl(2-methoxyethyl)amino]-N-(4-cyanophenyl)propanamide is COCCN(CCC(=O)Nc1ccc(C#N)cc1)C(C)=O.
What is the InChIKey of 3-[acetyl(2-methoxyethyl)amino]-N-(4-cyanophenyl)propanamide?
The InChIKey is KFHNOVCFMOMNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-12(19)18(9-10-21-2)8-7-15(20)17-14-5-3-13(11-16)4-6-14/h3-6H,7-10H2,1-2H3,(H,17,20).
What are the key properties of 3-[acetyl(2-methoxyethyl)amino]-N-(4-cyanophenyl)propanamide?
3-[acetyl(2-methoxyethyl)amino]-N-(4-cyanophenyl)propanamide has a molecular weight of 289.34 g/mol, XLogP of 1.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(2-methoxyethyl)amino]-N-(4-cyanophenyl)propanamide is sourced from PubChem (CID 113117060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).