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

C22H38N2O4 — CID 169158725

IUPAC4-(4-acetamidocyclohexyl)oxy-N-[4-(2-methylpropanoyl)cyclohexyl]butanamide
SMILESCC(=O)NC1CCC(OCCCC(=O)NC2CCC(C(=O)C(C)C)CC2)CC1
InChIInChI=1S/C22H38N2O4/c1-15(2)22(27)17-6-8-19(9-7-17)24-21(26)5-4-14-28-20-12-10-18(11-13-20)23-16(3)25/h15,17-20H,4-14H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyLIRYWNAOSUJFOL-UHFFFAOYSA-N
MW394.56 g/mol
LogP3.13
Rot. Bonds9

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

4-(4-acetamidocyclohexyl)oxy-N-[4-(2-methylpropanoyl)cyclohexyl]butanamide (PubChem CID 169158725) has the molecular formula C22H38N2O4 and a molecular weight of 394.56 g/mol. Its IUPAC name is 4-(4-acetamidocyclohexyl)oxy-N-[4-(2-methylpropanoyl)cyclohexyl]butanamide.

Molecular Properties

Compound Name4-(4-acetamidocyclohexyl)oxy-N-[4-(2-methylpropanoyl)cyclohexyl]butanamide
PubChem CID169158725
Molecular FormulaC22H38N2O4
Molecular Weight394.56 g/mol
Exact Mass394.28
IUPAC Name4-(4-acetamidocyclohexyl)oxy-N-[4-(2-methylpropanoyl)cyclohexyl]butanamide
SMILESCC(=O)NC1CCC(OCCCC(=O)NC2CCC(C(=O)C(C)C)CC2)CC1
InChIInChI=1S/C22H38N2O4/c1-15(2)22(27)17-6-8-19(9-7-17)24-21(26)5-4-14-28-20-12-10-18(11-13-20)23-16(3)25/h15,17-20H,4-14H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyLIRYWNAOSUJFOL-UHFFFAOYSA-N
XLogP3.13
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 53.13
H-Bond Donors ≤ 52
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-acetamidocyclohexyl)oxy-N-[4-(2-methylpropanoyl)cyclohexyl]butanamide?
The IUPAC name of 4-(4-acetamidocyclohexyl)oxy-N-[4-(2-methylpropanoyl)cyclohexyl]butanamide (CID 169158725) is 4-(4-acetamidocyclohexyl)oxy-N-[4-(2-methylpropanoyl)cyclohexyl]butanamide.
What is the SMILES notation for 4-(4-acetamidocyclohexyl)oxy-N-[4-(2-methylpropanoyl)cyclohexyl]butanamide?
The canonical SMILES for 4-(4-acetamidocyclohexyl)oxy-N-[4-(2-methylpropanoyl)cyclohexyl]butanamide is CC(=O)NC1CCC(OCCCC(=O)NC2CCC(C(=O)C(C)C)CC2)CC1.
What is the InChIKey of 4-(4-acetamidocyclohexyl)oxy-N-[4-(2-methylpropanoyl)cyclohexyl]butanamide?
The InChIKey is LIRYWNAOSUJFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38N2O4/c1-15(2)22(27)17-6-8-19(9-7-17)24-21(26)5-4-14-28-20-12-10-18(11-13-20)23-16(3)25/h15,17-20H,4-14H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of 4-(4-acetamidocyclohexyl)oxy-N-[4-(2-methylpropanoyl)cyclohexyl]butanamide?
4-(4-acetamidocyclohexyl)oxy-N-[4-(2-methylpropanoyl)cyclohexyl]butanamide has a molecular weight of 394.56 g/mol, XLogP of 3.13, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetamidocyclohexyl)oxy-N-[4-(2-methylpropanoyl)cyclohexyl]butanamide is sourced from PubChem (CID 169158725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).