3-[acetyl(cyclopentyl)amino]-N-(2,5-dimethoxyphenyl)propanamide

C18H26N2O4 — CID 113116443

IUPAC3-[acetyl(cyclopentyl)amino]-N-(2,5-dimethoxyphenyl)propanamide
SMILESCOc1ccc(OC)c(NC(=O)CCN(C(C)=O)C2CCCC2)c1
InChIInChI=1S/C18H26N2O4/c1-13(21)20(14-6-4-5-7-14)11-10-18(22)19-16-12-15(23-2)8-9-17(16)24-3/h8-9,12,14H,4-7,10-11H2,1-3H3,(H,19,22)
InChIKeyFGGFRUKEICZAIZ-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.82
Rot. Bonds7

About 3-[acetyl(cyclopentyl)amino]-N-(2,5-dimethoxyphenyl)propanamide

3-[acetyl(cyclopentyl)amino]-N-(2,5-dimethoxyphenyl)propanamide (PubChem CID 113116443) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is 3-[acetyl(cyclopentyl)amino]-N-(2,5-dimethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(cyclopentyl)amino]-N-(2,5-dimethoxyphenyl)propanamide
PubChem CID113116443
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Name3-[acetyl(cyclopentyl)amino]-N-(2,5-dimethoxyphenyl)propanamide
SMILESCOc1ccc(OC)c(NC(=O)CCN(C(C)=O)C2CCCC2)c1
InChIInChI=1S/C18H26N2O4/c1-13(21)20(14-6-4-5-7-14)11-10-18(22)19-16-12-15(23-2)8-9-17(16)24-3/h8-9,12,14H,4-7,10-11H2,1-3H3,(H,19,22)
InChIKeyFGGFRUKEICZAIZ-UHFFFAOYSA-N
XLogP2.82
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774
3-(N-acetyl-2-methoxyanilino)-N-(2,5-dimethoxyphenyl)propanamide
CID 113128823
N-cyclopropyl-N'-(2,5-dimethoxyphenyl)propanediamide
CID 108941097
3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2,5-dimethoxyphenyl)propanamide
CID 113119822
3-(N-acetyl-3-methylanilino)-N-(2,5-dimethoxyphenyl)propanamide
CID 113123860
[2-(2,5-dimethoxyanilino)-2-oxoethyl] cyclohexanecarboxylate
CID 2391445
N-(2,5-dimethoxyphenyl)-3-piperidin-4-ylpropanamide
CID 62210492
3-[acetyl(cycloheptyl)amino]-N-(2,4-dimethylphenyl)propanamide
CID 113122707
N-(2,5-dimethoxyphenyl)-3-(4-methoxyphenoxy)propanamide
CID 17034633
3-[acetyl(cyclohexyl)amino]-N-(2-ethoxyphenyl)propanamide
CID 113116636
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2,5-dimethoxyphenyl)acetamide
CID 113160520
3-[acetyl(propan-2-yl)amino]-N-(2,4-dimethoxyphenyl)propanamide
CID 113115251

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(cyclopentyl)amino]-N-(2,5-dimethoxyphenyl)propanamide?
The IUPAC name of 3-[acetyl(cyclopentyl)amino]-N-(2,5-dimethoxyphenyl)propanamide (CID 113116443) is 3-[acetyl(cyclopentyl)amino]-N-(2,5-dimethoxyphenyl)propanamide.
What is the SMILES notation for 3-[acetyl(cyclopentyl)amino]-N-(2,5-dimethoxyphenyl)propanamide?
The canonical SMILES for 3-[acetyl(cyclopentyl)amino]-N-(2,5-dimethoxyphenyl)propanamide is COc1ccc(OC)c(NC(=O)CCN(C(C)=O)C2CCCC2)c1.
What is the InChIKey of 3-[acetyl(cyclopentyl)amino]-N-(2,5-dimethoxyphenyl)propanamide?
The InChIKey is FGGFRUKEICZAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-13(21)20(14-6-4-5-7-14)11-10-18(22)19-16-12-15(23-2)8-9-17(16)24-3/h8-9,12,14H,4-7,10-11H2,1-3H3,(H,19,22).
What are the key properties of 3-[acetyl(cyclopentyl)amino]-N-(2,5-dimethoxyphenyl)propanamide?
3-[acetyl(cyclopentyl)amino]-N-(2,5-dimethoxyphenyl)propanamide has a molecular weight of 334.42 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(cyclopentyl)amino]-N-(2,5-dimethoxyphenyl)propanamide is sourced from PubChem (CID 113116443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).