4-methoxy-N-[2-[(4-methoxycyclohexanecarbonyl)amino]cyclohexyl]cyclohexane-1-carboxamide

C22H38N2O4 — CID 171722184

IUPAC4-methoxy-N-[2-[(4-methoxycyclohexanecarbonyl)amino]cyclohexyl]cyclohexane-1-carboxamide
SMILESCOC1CCC(C(=O)NC2CCCCC2NC(=O)C2CCC(OC)CC2)CC1
InChIInChI=1S/C22H38N2O4/c1-27-17-11-7-15(8-12-17)21(25)23-19-5-3-4-6-20(19)24-22(26)16-9-13-18(28-2)14-10-16/h15-20H,3-14H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyKNWBFYJJIKPQTR-UHFFFAOYSA-N
MW394.56 g/mol
LogP2.94
Rot. Bonds6

About 4-methoxy-N-[2-[(4-methoxycyclohexanecarbonyl)amino]cyclohexyl]cyclohexane-1-carboxamide

4-methoxy-N-[2-[(4-methoxycyclohexanecarbonyl)amino]cyclohexyl]cyclohexane-1-carboxamide (PubChem CID 171722184) has the molecular formula C22H38N2O4 and a molecular weight of 394.56 g/mol. Its IUPAC name is 4-methoxy-N-[2-[(4-methoxycyclohexanecarbonyl)amino]cyclohexyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-[2-[(4-methoxycyclohexanecarbonyl)amino]cyclohexyl]cyclohexane-1-carboxamide
PubChem CID171722184
Molecular FormulaC22H38N2O4
Molecular Weight394.56 g/mol
Exact Mass394.28
IUPAC Name4-methoxy-N-[2-[(4-methoxycyclohexanecarbonyl)amino]cyclohexyl]cyclohexane-1-carboxamide
SMILESCOC1CCC(C(=O)NC2CCCCC2NC(=O)C2CCC(OC)CC2)CC1
InChIInChI=1S/C22H38N2O4/c1-27-17-11-7-15(8-12-17)21(25)23-19-5-3-4-6-20(19)24-22(26)16-9-13-18(28-2)14-10-16/h15-20H,3-14H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyKNWBFYJJIKPQTR-UHFFFAOYSA-N
XLogP2.94
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-[(4-methoxycyclohexanecarbonyl)amino]cyclohexyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-methoxy-N-[2-[(4-methoxycyclohexanecarbonyl)amino]cyclohexyl]cyclohexane-1-carboxamide (CID 171722184) is 4-methoxy-N-[2-[(4-methoxycyclohexanecarbonyl)amino]cyclohexyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-methoxy-N-[2-[(4-methoxycyclohexanecarbonyl)amino]cyclohexyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-methoxy-N-[2-[(4-methoxycyclohexanecarbonyl)amino]cyclohexyl]cyclohexane-1-carboxamide is COC1CCC(C(=O)NC2CCCCC2NC(=O)C2CCC(OC)CC2)CC1.
What is the InChIKey of 4-methoxy-N-[2-[(4-methoxycyclohexanecarbonyl)amino]cyclohexyl]cyclohexane-1-carboxamide?
The InChIKey is KNWBFYJJIKPQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38N2O4/c1-27-17-11-7-15(8-12-17)21(25)23-19-5-3-4-6-20(19)24-22(26)16-9-13-18(28-2)14-10-16/h15-20H,3-14H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 4-methoxy-N-[2-[(4-methoxycyclohexanecarbonyl)amino]cyclohexyl]cyclohexane-1-carboxamide?
4-methoxy-N-[2-[(4-methoxycyclohexanecarbonyl)amino]cyclohexyl]cyclohexane-1-carboxamide has a molecular weight of 394.56 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-[(4-methoxycyclohexanecarbonyl)amino]cyclohexyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 171722184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).