4-methoxy-N-(4-morpholin-2-ylphenyl)cyclohexane-1-carboxamide

C18H26N2O3 — CID 67238949

IUPAC4-methoxy-N-(4-morpholin-2-ylphenyl)cyclohexane-1-carboxamide
SMILESCOC1CCC(C(=O)Nc2ccc(C3CNCCO3)cc2)CC1
InChIInChI=1S/C18H26N2O3/c1-22-16-8-4-14(5-9-16)18(21)20-15-6-2-13(3-7-15)17-12-19-10-11-23-17/h2-3,6-7,14,16-17,19H,4-5,8-12H2,1H3,(H,20,21)
InChIKeyRDXXYXXWUBKOSU-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.49
Rot. Bonds4

About 4-methoxy-N-(4-morpholin-2-ylphenyl)cyclohexane-1-carboxamide

4-methoxy-N-(4-morpholin-2-ylphenyl)cyclohexane-1-carboxamide (PubChem CID 67238949) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 4-methoxy-N-(4-morpholin-2-ylphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-(4-morpholin-2-ylphenyl)cyclohexane-1-carboxamide
PubChem CID67238949
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name4-methoxy-N-(4-morpholin-2-ylphenyl)cyclohexane-1-carboxamide
SMILESCOC1CCC(C(=O)Nc2ccc(C3CNCCO3)cc2)CC1
InChIInChI=1S/C18H26N2O3/c1-22-16-8-4-14(5-9-16)18(21)20-15-6-2-13(3-7-15)17-12-19-10-11-23-17/h2-3,6-7,14,16-17,19H,4-5,8-12H2,1H3,(H,20,21)
InChIKeyRDXXYXXWUBKOSU-UHFFFAOYSA-N
XLogP2.49
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(4-morpholin-2-ylphenyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-methoxy-N-(4-morpholin-2-ylphenyl)cyclohexane-1-carboxamide (CID 67238949) is 4-methoxy-N-(4-morpholin-2-ylphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-methoxy-N-(4-morpholin-2-ylphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-methoxy-N-(4-morpholin-2-ylphenyl)cyclohexane-1-carboxamide is COC1CCC(C(=O)Nc2ccc(C3CNCCO3)cc2)CC1.
What is the InChIKey of 4-methoxy-N-(4-morpholin-2-ylphenyl)cyclohexane-1-carboxamide?
The InChIKey is RDXXYXXWUBKOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-22-16-8-4-14(5-9-16)18(21)20-15-6-2-13(3-7-15)17-12-19-10-11-23-17/h2-3,6-7,14,16-17,19H,4-5,8-12H2,1H3,(H,20,21).
What are the key properties of 4-methoxy-N-(4-morpholin-2-ylphenyl)cyclohexane-1-carboxamide?
4-methoxy-N-(4-morpholin-2-ylphenyl)cyclohexane-1-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(4-morpholin-2-ylphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 67238949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).