4-methoxy-N,N-bis(4-methoxycyclohexyl)cyclohexane-1-carboxamide

C22H39NO4 — CID 140521713

IUPAC4-methoxy-N,N-bis(4-methoxycyclohexyl)cyclohexane-1-carboxamide
SMILESCOC1CCC(C(=O)N(C2CCC(OC)CC2)C2CCC(OC)CC2)CC1
InChIInChI=1S/C22H39NO4/c1-25-19-10-4-16(5-11-19)22(24)23(17-6-12-20(26-2)13-7-17)18-8-14-21(27-3)15-9-18/h16-21H,4-15H2,1-3H3
InChIKeyKDAVKDAEKGOSPC-UHFFFAOYSA-N
MW381.56 g/mol
LogP3.94
Rot. Bonds6

About 4-methoxy-N,N-bis(4-methoxycyclohexyl)cyclohexane-1-carboxamide

4-methoxy-N,N-bis(4-methoxycyclohexyl)cyclohexane-1-carboxamide (PubChem CID 140521713) has the molecular formula C22H39NO4 and a molecular weight of 381.56 g/mol. Its IUPAC name is 4-methoxy-N,N-bis(4-methoxycyclohexyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-methoxy-N,N-bis(4-methoxycyclohexyl)cyclohexane-1-carboxamide
PubChem CID140521713
Molecular FormulaC22H39NO4
Molecular Weight381.56 g/mol
Exact Mass381.29
IUPAC Name4-methoxy-N,N-bis(4-methoxycyclohexyl)cyclohexane-1-carboxamide
SMILESCOC1CCC(C(=O)N(C2CCC(OC)CC2)C2CCC(OC)CC2)CC1
InChIInChI=1S/C22H39NO4/c1-25-19-10-4-16(5-11-19)22(24)23(17-6-12-20(26-2)13-7-17)18-8-14-21(27-3)15-9-18/h16-21H,4-15H2,1-3H3
InChIKeyKDAVKDAEKGOSPC-UHFFFAOYSA-N
XLogP3.94
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.56
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-methoxy-N,N-bis(4-methoxycyclohexyl)cyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N,N-bis(4-methoxycyclohexyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-methoxy-N,N-bis(4-methoxycyclohexyl)cyclohexane-1-carboxamide (CID 140521713) is 4-methoxy-N,N-bis(4-methoxycyclohexyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-methoxy-N,N-bis(4-methoxycyclohexyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-methoxy-N,N-bis(4-methoxycyclohexyl)cyclohexane-1-carboxamide is COC1CCC(C(=O)N(C2CCC(OC)CC2)C2CCC(OC)CC2)CC1.
What is the InChIKey of 4-methoxy-N,N-bis(4-methoxycyclohexyl)cyclohexane-1-carboxamide?
The InChIKey is KDAVKDAEKGOSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39NO4/c1-25-19-10-4-16(5-11-19)22(24)23(17-6-12-20(26-2)13-7-17)18-8-14-21(27-3)15-9-18/h16-21H,4-15H2,1-3H3.
What are the key properties of 4-methoxy-N,N-bis(4-methoxycyclohexyl)cyclohexane-1-carboxamide?
4-methoxy-N,N-bis(4-methoxycyclohexyl)cyclohexane-1-carboxamide has a molecular weight of 381.56 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N,N-bis(4-methoxycyclohexyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 140521713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).