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

C22H41NO4 — CID 167464017

IUPAC4-(4-ethoxycyclohexyl)oxy-N-[4-(2-methylpropanoyl)cyclohexyl]butanamide;molecular hydrogen
SMILESCCOC1CCC(OCCCC(=O)NC2CCC(C(=O)C(C)C)CC2)CC1.[H][H]
InChIInChI=1S/C22H39NO4.H2/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);1H
InChIKeyJAWLIDDYJIDZOC-UHFFFAOYSA-N
MW383.57 g/mol
LogP4.28
Rot. Bonds10

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

4-(4-ethoxycyclohexyl)oxy-N-[4-(2-methylpropanoyl)cyclohexyl]butanamide;molecular hydrogen (PubChem CID 167464017) has the molecular formula C22H41NO4 and a molecular weight of 383.57 g/mol. Its IUPAC name is 4-(4-ethoxycyclohexyl)oxy-N-[4-(2-methylpropanoyl)cyclohexyl]butanamide;molecular hydrogen.

Molecular Properties

Compound Name4-(4-ethoxycyclohexyl)oxy-N-[4-(2-methylpropanoyl)cyclohexyl]butanamide;molecular hydrogen
PubChem CID167464017
Molecular FormulaC22H41NO4
Molecular Weight383.57 g/mol
Exact Mass383.30
IUPAC Name4-(4-ethoxycyclohexyl)oxy-N-[4-(2-methylpropanoyl)cyclohexyl]butanamide;molecular hydrogen
SMILESCCOC1CCC(OCCCC(=O)NC2CCC(C(=O)C(C)C)CC2)CC1.[H][H]
InChIInChI=1S/C22H39NO4.H2/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);1H
InChIKeyJAWLIDDYJIDZOC-UHFFFAOYSA-N
XLogP4.28
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.57
LogP ≤ 54.28
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;molecular hydrogen?
The IUPAC name of 4-(4-ethoxycyclohexyl)oxy-N-[4-(2-methylpropanoyl)cyclohexyl]butanamide;molecular hydrogen (CID 167464017) is 4-(4-ethoxycyclohexyl)oxy-N-[4-(2-methylpropanoyl)cyclohexyl]butanamide;molecular hydrogen.
What is the SMILES notation for 4-(4-ethoxycyclohexyl)oxy-N-[4-(2-methylpropanoyl)cyclohexyl]butanamide;molecular hydrogen?
The canonical SMILES for 4-(4-ethoxycyclohexyl)oxy-N-[4-(2-methylpropanoyl)cyclohexyl]butanamide;molecular hydrogen is CCOC1CCC(OCCCC(=O)NC2CCC(C(=O)C(C)C)CC2)CC1.[H][H].
What is the InChIKey of 4-(4-ethoxycyclohexyl)oxy-N-[4-(2-methylpropanoyl)cyclohexyl]butanamide;molecular hydrogen?
The InChIKey is JAWLIDDYJIDZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39NO4.H2/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);1H.
What are the key properties of 4-(4-ethoxycyclohexyl)oxy-N-[4-(2-methylpropanoyl)cyclohexyl]butanamide;molecular hydrogen?
4-(4-ethoxycyclohexyl)oxy-N-[4-(2-methylpropanoyl)cyclohexyl]butanamide;molecular hydrogen has a molecular weight of 383.57 g/mol, XLogP of 4.28, 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;molecular hydrogen is sourced from PubChem (CID 167464017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).