3-(4-ethoxycyclohexyl)oxy-N-(4-propanoylcyclohexyl)propanamide;molecular hydrogen

C20H37NO4 — CID 167464209

IUPAC3-(4-ethoxycyclohexyl)oxy-N-(4-propanoylcyclohexyl)propanamide;molecular hydrogen
SMILESCCOC1CCC(OCCC(=O)NC2CCC(C(=O)CC)CC2)CC1.[H][H]
InChIInChI=1S/C20H35NO4.H2/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);1H
InChIKeyPINFIQNYZVWWBX-UHFFFAOYSA-N
MW355.52 g/mol
LogP3.64
Rot. Bonds9

About 3-(4-ethoxycyclohexyl)oxy-N-(4-propanoylcyclohexyl)propanamide;molecular hydrogen

3-(4-ethoxycyclohexyl)oxy-N-(4-propanoylcyclohexyl)propanamide;molecular hydrogen (PubChem CID 167464209) has the molecular formula C20H37NO4 and a molecular weight of 355.52 g/mol. Its IUPAC name is 3-(4-ethoxycyclohexyl)oxy-N-(4-propanoylcyclohexyl)propanamide;molecular hydrogen.

Molecular Properties

Compound Name3-(4-ethoxycyclohexyl)oxy-N-(4-propanoylcyclohexyl)propanamide;molecular hydrogen
PubChem CID167464209
Molecular FormulaC20H37NO4
Molecular Weight355.52 g/mol
Exact Mass355.27
IUPAC Name3-(4-ethoxycyclohexyl)oxy-N-(4-propanoylcyclohexyl)propanamide;molecular hydrogen
SMILESCCOC1CCC(OCCC(=O)NC2CCC(C(=O)CC)CC2)CC1.[H][H]
InChIInChI=1S/C20H35NO4.H2/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);1H
InChIKeyPINFIQNYZVWWBX-UHFFFAOYSA-N
XLogP3.64
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.52
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxycyclohexyl)oxy-N-(4-propanoylcyclohexyl)propanamide;molecular hydrogen?
The IUPAC name of 3-(4-ethoxycyclohexyl)oxy-N-(4-propanoylcyclohexyl)propanamide;molecular hydrogen (CID 167464209) is 3-(4-ethoxycyclohexyl)oxy-N-(4-propanoylcyclohexyl)propanamide;molecular hydrogen.
What is the SMILES notation for 3-(4-ethoxycyclohexyl)oxy-N-(4-propanoylcyclohexyl)propanamide;molecular hydrogen?
The canonical SMILES for 3-(4-ethoxycyclohexyl)oxy-N-(4-propanoylcyclohexyl)propanamide;molecular hydrogen is CCOC1CCC(OCCC(=O)NC2CCC(C(=O)CC)CC2)CC1.[H][H].
What is the InChIKey of 3-(4-ethoxycyclohexyl)oxy-N-(4-propanoylcyclohexyl)propanamide;molecular hydrogen?
The InChIKey is PINFIQNYZVWWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35NO4.H2/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);1H.
What are the key properties of 3-(4-ethoxycyclohexyl)oxy-N-(4-propanoylcyclohexyl)propanamide;molecular hydrogen?
3-(4-ethoxycyclohexyl)oxy-N-(4-propanoylcyclohexyl)propanamide;molecular hydrogen has a molecular weight of 355.52 g/mol, XLogP of 3.64, 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;molecular hydrogen is sourced from PubChem (CID 167464209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).