3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-cyclohexylpropanamide

C20H30N2O3 — CID 113121338

IUPAC3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-cyclohexylpropanamide
SMILESCOc1cccc(CCN(CCC(=O)NC2CCCCC2)C(C)=O)c1
InChIInChI=1S/C20H30N2O3/c1-16(23)22(13-11-17-7-6-10-19(15-17)25-2)14-12-20(24)21-18-8-4-3-5-9-18/h6-7,10,15,18H,3-5,8-9,11-14H2,1-2H3,(H,21,24)
InChIKeyYLCFMHOEJSGRPT-UHFFFAOYSA-N
MW346.47 g/mol
LogP2.93
Rot. Bonds8

About 3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-cyclohexylpropanamide

3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-cyclohexylpropanamide (PubChem CID 113121338) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-cyclohexylpropanamide.

Molecular Properties

Compound Name3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-cyclohexylpropanamide
PubChem CID113121338
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-cyclohexylpropanamide
SMILESCOc1cccc(CCN(CCC(=O)NC2CCCCC2)C(C)=O)c1
InChIInChI=1S/C20H30N2O3/c1-16(23)22(13-11-17-7-6-10-19(15-17)25-2)14-12-20(24)21-18-8-4-3-5-9-18/h6-7,10,15,18H,3-5,8-9,11-14H2,1-2H3,(H,21,24)
InChIKeyYLCFMHOEJSGRPT-UHFFFAOYSA-N
XLogP2.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-2-(3-methoxyphenyl)acetamide
CID 16618770
3-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-cyclopropylpropanamide
CID 113123179
3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-cycloheptylpropanamide
CID 113122371
N-[2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]ethyl]cyclohexanecarboxamide
CID 113055884
3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-[(3-methylphenyl)methyl]propanamide
CID 113121353
2-(N-acetyl-3-methoxyanilino)-N-cycloheptylacetamide
CID 113173369
N-(1-acetylpiperidin-4-yl)-3-(3-methoxyphenyl)propanamide
CID 46662162
3-(3-methoxyphenyl)-N-piperidin-4-ylpropanamide
CID 119389634
3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-(3,4-difluorophenyl)propanamide
CID 113121447
methyl 2-[3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]propanoylamino]benzoate
CID 113121431
3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 113121361
4-[3-(3-methoxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 119229032

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-cyclohexylpropanamide?
The IUPAC name of 3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-cyclohexylpropanamide (CID 113121338) is 3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-cyclohexylpropanamide.
What is the SMILES notation for 3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-cyclohexylpropanamide?
The canonical SMILES for 3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-cyclohexylpropanamide is COc1cccc(CCN(CCC(=O)NC2CCCCC2)C(C)=O)c1.
What is the InChIKey of 3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-cyclohexylpropanamide?
The InChIKey is YLCFMHOEJSGRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-16(23)22(13-11-17-7-6-10-19(15-17)25-2)14-12-20(24)21-18-8-4-3-5-9-18/h6-7,10,15,18H,3-5,8-9,11-14H2,1-2H3,(H,21,24).
What are the key properties of 3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-cyclohexylpropanamide?
3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-cyclohexylpropanamide has a molecular weight of 346.47 g/mol, XLogP of 2.93, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-cyclohexylpropanamide is sourced from PubChem (CID 113121338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).