3-(4-ethoxycyclohexyl)oxy-N-(4-propanoylcyclohexyl)propanamide

C20H35NO4 — CID 167464210

IUPAC3-(4-ethoxycyclohexyl)oxy-N-(4-propanoylcyclohexyl)propanamide
SMILESCCOC1CCC(OCCC(=O)NC2CCC(C(=O)CC)CC2)CC1
InChIInChI=1S/C20H35NO4/c1-3-19(22)15-5-7-16(8-6-15)21-20(23)13-14-25-18-11-9-17(10-12-18)24-4-2/h15-18H,3-14H2,1-2H3,(H,21,23)
InChIKeyQBFLKQNHIKOXBX-UHFFFAOYSA-N
MW353.50 g/mol
LogP3.39
Rot. Bonds9

About 3-(4-ethoxycyclohexyl)oxy-N-(4-propanoylcyclohexyl)propanamide

3-(4-ethoxycyclohexyl)oxy-N-(4-propanoylcyclohexyl)propanamide (PubChem CID 167464210) has the molecular formula C20H35NO4 and a molecular weight of 353.50 g/mol. Its IUPAC name is 3-(4-ethoxycyclohexyl)oxy-N-(4-propanoylcyclohexyl)propanamide.

Molecular Properties

Compound Name3-(4-ethoxycyclohexyl)oxy-N-(4-propanoylcyclohexyl)propanamide
PubChem CID167464210
Molecular FormulaC20H35NO4
Molecular Weight353.50 g/mol
Exact Mass353.26
IUPAC Name3-(4-ethoxycyclohexyl)oxy-N-(4-propanoylcyclohexyl)propanamide
SMILESCCOC1CCC(OCCC(=O)NC2CCC(C(=O)CC)CC2)CC1
InChIInChI=1S/C20H35NO4/c1-3-19(22)15-5-7-16(8-6-15)21-20(23)13-14-25-18-11-9-17(10-12-18)24-4-2/h15-18H,3-14H2,1-2H3,(H,21,23)
InChIKeyQBFLKQNHIKOXBX-UHFFFAOYSA-N
XLogP3.39
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.50
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methoxycyclohexyl)oxy-N-(3-propanoylcyclobutyl)propanamide
CID 169159546
4-[4-(2-methylpropanoylamino)cyclohexyl]oxy-N-(4-propanoylcyclohexyl)butanamide
CID 170195768
N-[4-(2-methylpropanoyl)cyclohexyl]-3-(4-propan-2-yloxycyclohexyl)oxypropanamide
CID 169158788
molecular hydrogen;3-[2-[2-(propanoylamino)ethoxy]ethoxy]-N-(4-propanoylcyclohexyl)propanamide
CID 169159539
N-(4-methylcyclohexyl)-3-piperidin-4-yloxypropanamide
CID 63875270
molecular hydrogen;N-(3-propanoylcyclobutyl)-4-(4-propan-2-yloxycyclohexyl)oxybutanamide
CID 169158273
(3S)-1-methyl-5-oxo-N-[2-[4-[4-oxo-4-[(4-propanoylcyclohexyl)amino]butoxy]cyclohexyl]oxyethyl]pyrrolidine-3-carboxamide
CID 177358531
3-(3-piperidin-4-yloxypropanoylamino)cyclopentane-1-carboxylic acid
CID 66030555
N-(4-acetylcyclohexyl)-4-cyclohexyloxybutanamide
CID 177358183
4-(4-acetamidocyclohexyl)oxy-N-[4-(2-methylpropanoyl)cyclohexyl]butanamide
CID 169158725
N-[2-oxo-2-[(4-propanoylcyclohexyl)amino]ethyl]-3-(2-propan-2-yloxyethoxy)propanamide
CID 169158949
N-(4-acetylcyclohexyl)-4-cyclohexyloxybutanamide;ethane
CID 177358182

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxycyclohexyl)oxy-N-(4-propanoylcyclohexyl)propanamide?
The IUPAC name of 3-(4-ethoxycyclohexyl)oxy-N-(4-propanoylcyclohexyl)propanamide (CID 167464210) is 3-(4-ethoxycyclohexyl)oxy-N-(4-propanoylcyclohexyl)propanamide.
What is the SMILES notation for 3-(4-ethoxycyclohexyl)oxy-N-(4-propanoylcyclohexyl)propanamide?
The canonical SMILES for 3-(4-ethoxycyclohexyl)oxy-N-(4-propanoylcyclohexyl)propanamide is CCOC1CCC(OCCC(=O)NC2CCC(C(=O)CC)CC2)CC1.
What is the InChIKey of 3-(4-ethoxycyclohexyl)oxy-N-(4-propanoylcyclohexyl)propanamide?
The InChIKey is QBFLKQNHIKOXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35NO4/c1-3-19(22)15-5-7-16(8-6-15)21-20(23)13-14-25-18-11-9-17(10-12-18)24-4-2/h15-18H,3-14H2,1-2H3,(H,21,23).
What are the key properties of 3-(4-ethoxycyclohexyl)oxy-N-(4-propanoylcyclohexyl)propanamide?
3-(4-ethoxycyclohexyl)oxy-N-(4-propanoylcyclohexyl)propanamide has a molecular weight of 353.50 g/mol, XLogP of 3.39, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxycyclohexyl)oxy-N-(4-propanoylcyclohexyl)propanamide is sourced from PubChem (CID 167464210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).