4-(4-ethoxycyclohexyl)oxy-N-[4-(2-methylpropanoyl)cyclohexyl]butanamide

C22H39NO4 — CID 167464018

IUPAC4-(4-ethoxycyclohexyl)oxy-N-[4-(2-methylpropanoyl)cyclohexyl]butanamide
SMILESCCOC1CCC(OCCCC(=O)NC2CCC(C(=O)C(C)C)CC2)CC1
InChIInChI=1S/C22H39NO4/c1-4-26-19-11-13-20(14-12-19)27-15-5-6-21(24)23-18-9-7-17(8-10-18)22(25)16(2)3/h16-20H,4-15H2,1-3H3,(H,23,24)
InChIKeyUFKCRJYXLMTJTN-UHFFFAOYSA-N
MW381.56 g/mol
LogP4.03
Rot. Bonds10

About 4-(4-ethoxycyclohexyl)oxy-N-[4-(2-methylpropanoyl)cyclohexyl]butanamide

4-(4-ethoxycyclohexyl)oxy-N-[4-(2-methylpropanoyl)cyclohexyl]butanamide (PubChem CID 167464018) has the molecular formula C22H39NO4 and a molecular weight of 381.56 g/mol. Its IUPAC name is 4-(4-ethoxycyclohexyl)oxy-N-[4-(2-methylpropanoyl)cyclohexyl]butanamide.

Molecular Properties

Compound Name4-(4-ethoxycyclohexyl)oxy-N-[4-(2-methylpropanoyl)cyclohexyl]butanamide
PubChem CID167464018
Molecular FormulaC22H39NO4
Molecular Weight381.56 g/mol
Exact Mass381.29
IUPAC Name4-(4-ethoxycyclohexyl)oxy-N-[4-(2-methylpropanoyl)cyclohexyl]butanamide
SMILESCCOC1CCC(OCCCC(=O)NC2CCC(C(=O)C(C)C)CC2)CC1
InChIInChI=1S/C22H39NO4/c1-4-26-19-11-13-20(14-12-19)27-15-5-6-21(24)23-18-9-7-17(8-10-18)22(25)16(2)3/h16-20H,4-15H2,1-3H3,(H,23,24)
InChIKeyUFKCRJYXLMTJTN-UHFFFAOYSA-N
XLogP4.03
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.56
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxycyclohexyl)oxy-N-[4-(2-methylpropanoyl)cyclohexyl]butanamide?
The IUPAC name of 4-(4-ethoxycyclohexyl)oxy-N-[4-(2-methylpropanoyl)cyclohexyl]butanamide (CID 167464018) is 4-(4-ethoxycyclohexyl)oxy-N-[4-(2-methylpropanoyl)cyclohexyl]butanamide.
What is the SMILES notation for 4-(4-ethoxycyclohexyl)oxy-N-[4-(2-methylpropanoyl)cyclohexyl]butanamide?
The canonical SMILES for 4-(4-ethoxycyclohexyl)oxy-N-[4-(2-methylpropanoyl)cyclohexyl]butanamide is CCOC1CCC(OCCCC(=O)NC2CCC(C(=O)C(C)C)CC2)CC1.
What is the InChIKey of 4-(4-ethoxycyclohexyl)oxy-N-[4-(2-methylpropanoyl)cyclohexyl]butanamide?
The InChIKey is UFKCRJYXLMTJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39NO4/c1-4-26-19-11-13-20(14-12-19)27-15-5-6-21(24)23-18-9-7-17(8-10-18)22(25)16(2)3/h16-20H,4-15H2,1-3H3,(H,23,24).
What are the key properties of 4-(4-ethoxycyclohexyl)oxy-N-[4-(2-methylpropanoyl)cyclohexyl]butanamide?
4-(4-ethoxycyclohexyl)oxy-N-[4-(2-methylpropanoyl)cyclohexyl]butanamide has a molecular weight of 381.56 g/mol, XLogP of 4.03, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxycyclohexyl)oxy-N-[4-(2-methylpropanoyl)cyclohexyl]butanamide is sourced from PubChem (CID 167464018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).