3-cyclohexyl-N-(2,5-diethoxyphenyl)propanamide

C19H29NO3 — CID 43835604

IUPAC3-cyclohexyl-N-(2,5-diethoxyphenyl)propanamide
SMILESCCOc1ccc(OCC)c(NC(=O)CCC2CCCCC2)c1
InChIInChI=1S/C19H29NO3/c1-3-22-16-11-12-18(23-4-2)17(14-16)20-19(21)13-10-15-8-6-5-7-9-15/h11-12,14-15H,3-10,13H2,1-2H3,(H,20,21)
InChIKeyPHYFKILFGRXKRL-UHFFFAOYSA-N
MW319.45 g/mol
LogP4.78
Rot. Bonds8

About 3-cyclohexyl-N-(2,5-diethoxyphenyl)propanamide

3-cyclohexyl-N-(2,5-diethoxyphenyl)propanamide (PubChem CID 43835604) has the molecular formula C19H29NO3 and a molecular weight of 319.45 g/mol. Its IUPAC name is 3-cyclohexyl-N-(2,5-diethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-(2,5-diethoxyphenyl)propanamide
PubChem CID43835604
Molecular FormulaC19H29NO3
Molecular Weight319.45 g/mol
Exact Mass319.21
IUPAC Name3-cyclohexyl-N-(2,5-diethoxyphenyl)propanamide
SMILESCCOc1ccc(OCC)c(NC(=O)CCC2CCCCC2)c1
InChIInChI=1S/C19H29NO3/c1-3-22-16-11-12-18(23-4-2)17(14-16)20-19(21)13-10-15-8-6-5-7-9-15/h11-12,14-15H,3-10,13H2,1-2H3,(H,20,21)
InChIKeyPHYFKILFGRXKRL-UHFFFAOYSA-N
XLogP4.78
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(2,5-diethoxyphenyl)propanamide
CID 8909426
4-(2,5-diethoxyanilino)-4-oxobutanoic acid
CID 1133656
N-(2,5-diethoxyphenyl)-5-hydroxypentanamide
CID 79198989
5-[4-(3-cyclohexylpropanoylamino)-3-ethoxyphenyl]pentanoic acid
CID 82260212
N-[4-(2-aminobutyl)-2-ethoxyphenyl]-3-cyclohexylpropanamide
CID 82259817
3-amino-4-cyclohexyl-N-(2,5-diethoxyphenyl)-2-hydroxybutanamide;hydrochloride
CID 21198823
N-(2,5-diethoxyphenyl)-2-methoxyacetamide
CID 34737899
N-(2,5-diethoxyphenyl)-2-(propan-2-ylamino)acetamide
CID 60703669
N-(2,5-diethoxyphenyl)-3-(2-ethoxyphenyl)propanamide
CID 33002086
N-(2,5-diethoxyphenyl)-4-phenoxybutanamide
CID 31526572
N-(2,5-diethoxyphenyl)-2-methylsulfanylacetamide
CID 33312505
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CID 24564917

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-(2,5-diethoxyphenyl)propanamide?
The IUPAC name of 3-cyclohexyl-N-(2,5-diethoxyphenyl)propanamide (CID 43835604) is 3-cyclohexyl-N-(2,5-diethoxyphenyl)propanamide.
What is the SMILES notation for 3-cyclohexyl-N-(2,5-diethoxyphenyl)propanamide?
The canonical SMILES for 3-cyclohexyl-N-(2,5-diethoxyphenyl)propanamide is CCOc1ccc(OCC)c(NC(=O)CCC2CCCCC2)c1.
What is the InChIKey of 3-cyclohexyl-N-(2,5-diethoxyphenyl)propanamide?
The InChIKey is PHYFKILFGRXKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO3/c1-3-22-16-11-12-18(23-4-2)17(14-16)20-19(21)13-10-15-8-6-5-7-9-15/h11-12,14-15H,3-10,13H2,1-2H3,(H,20,21).
What are the key properties of 3-cyclohexyl-N-(2,5-diethoxyphenyl)propanamide?
3-cyclohexyl-N-(2,5-diethoxyphenyl)propanamide has a molecular weight of 319.45 g/mol, XLogP of 4.78, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-(2,5-diethoxyphenyl)propanamide is sourced from PubChem (CID 43835604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).