3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-cycloheptylpropanamide

C21H32N2O4 — CID 113122371

IUPAC3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-cycloheptylpropanamide
SMILESCOc1ccc(OCCN(CCC(=O)NC2CCCCCC2)C(C)=O)cc1
InChIInChI=1S/C21H32N2O4/c1-17(24)23(15-16-27-20-11-9-19(26-2)10-12-20)14-13-21(25)22-18-7-5-3-4-6-8-18/h9-12,18H,3-8,13-16H2,1-2H3,(H,22,25)
InChIKeyXYCJOPKYJKHEEO-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.15
Rot. Bonds9

About 3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-cycloheptylpropanamide

3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-cycloheptylpropanamide (PubChem CID 113122371) has the molecular formula C21H32N2O4 and a molecular weight of 376.50 g/mol. Its IUPAC name is 3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-cycloheptylpropanamide.

Molecular Properties

Compound Name3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-cycloheptylpropanamide
PubChem CID113122371
Molecular FormulaC21H32N2O4
Molecular Weight376.50 g/mol
Exact Mass376.24
IUPAC Name3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-cycloheptylpropanamide
SMILESCOc1ccc(OCCN(CCC(=O)NC2CCCCCC2)C(C)=O)cc1
InChIInChI=1S/C21H32N2O4/c1-17(24)23(15-16-27-20-11-9-19(26-2)10-12-20)14-13-21(25)22-18-7-5-3-4-6-8-18/h9-12,18H,3-8,13-16H2,1-2H3,(H,22,25)
InChIKeyXYCJOPKYJKHEEO-UHFFFAOYSA-N
XLogP3.15
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-3-(4-methoxyphenoxy)propanamide
CID 974927
3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-propan-2-ylpropanamide
CID 113122339
N-cyclohexyl-3-[2-(4-methoxyphenoxy)ethylsulfanyl]propanamide
CID 134001401
3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-cyclohexylpropanamide
CID 113121338
N-[3-(cyclohexylamino)-3-oxopropyl]-4-(4-methoxyphenoxy)butanamide
CID 55951561
3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-(2,6-dimethylphenyl)propanamide
CID 113122386
3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-(4-propan-2-ylphenyl)propanamide
CID 113122393
3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-(pyridin-4-ylmethyl)propanamide
CID 113122366
2-[acetyl(2-methoxyethyl)amino]-N-cyclohexylacetamide
CID 113159800
3-[acetyl(2-methylpropyl)amino]-N-cyclohexylpropanamide
CID 113115917
3-[acetyl(pyridin-2-ylmethyl)amino]-N-cycloheptylpropanamide
CID 113120220
2-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-(4-methoxyphenyl)acetamide
CID 113166031

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-cycloheptylpropanamide?
The IUPAC name of 3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-cycloheptylpropanamide (CID 113122371) is 3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-cycloheptylpropanamide.
What is the SMILES notation for 3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-cycloheptylpropanamide?
The canonical SMILES for 3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-cycloheptylpropanamide is COc1ccc(OCCN(CCC(=O)NC2CCCCCC2)C(C)=O)cc1.
What is the InChIKey of 3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-cycloheptylpropanamide?
The InChIKey is XYCJOPKYJKHEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O4/c1-17(24)23(15-16-27-20-11-9-19(26-2)10-12-20)14-13-21(25)22-18-7-5-3-4-6-8-18/h9-12,18H,3-8,13-16H2,1-2H3,(H,22,25).
What are the key properties of 3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-cycloheptylpropanamide?
3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-cycloheptylpropanamide has a molecular weight of 376.50 g/mol, XLogP of 3.15, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-cycloheptylpropanamide is sourced from PubChem (CID 113122371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).