1-[cycloheptyl(morpholin-4-yl)methyl]cyclohexane-1-carboxamide

C19H34N2O2 — CID 67406903

IUPAC1-[cycloheptyl(morpholin-4-yl)methyl]cyclohexane-1-carboxamide
SMILESNC(=O)C1(C(C2CCCCCC2)N2CCOCC2)CCCCC1
InChIInChI=1S/C19H34N2O2/c20-18(22)19(10-6-3-7-11-19)17(21-12-14-23-15-13-21)16-8-4-1-2-5-9-16/h16-17H,1-15H2,(H2,20,22)
InChIKeyIIRWQZAOSNDWLF-UHFFFAOYSA-N
MW322.49 g/mol
LogP3.09
Rot. Bonds4

About 1-[cycloheptyl(morpholin-4-yl)methyl]cyclohexane-1-carboxamide

1-[cycloheptyl(morpholin-4-yl)methyl]cyclohexane-1-carboxamide (PubChem CID 67406903) has the molecular formula C19H34N2O2 and a molecular weight of 322.49 g/mol. Its IUPAC name is 1-[cycloheptyl(morpholin-4-yl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-[cycloheptyl(morpholin-4-yl)methyl]cyclohexane-1-carboxamide
PubChem CID67406903
Molecular FormulaC19H34N2O2
Molecular Weight322.49 g/mol
Exact Mass322.26
IUPAC Name1-[cycloheptyl(morpholin-4-yl)methyl]cyclohexane-1-carboxamide
SMILESNC(=O)C1(C(C2CCCCCC2)N2CCOCC2)CCCCC1
InChIInChI=1S/C19H34N2O2/c20-18(22)19(10-6-3-7-11-19)17(21-12-14-23-15-13-21)16-8-4-1-2-5-9-16/h16-17H,1-15H2,(H2,20,22)
InChIKeyIIRWQZAOSNDWLF-UHFFFAOYSA-N
XLogP3.09
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.49
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[cycloheptyl(morpholin-4-yl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-[cycloheptyl(morpholin-4-yl)methyl]cyclohexane-1-carboxamide (CID 67406903) is 1-[cycloheptyl(morpholin-4-yl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-[cycloheptyl(morpholin-4-yl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-[cycloheptyl(morpholin-4-yl)methyl]cyclohexane-1-carboxamide is NC(=O)C1(C(C2CCCCCC2)N2CCOCC2)CCCCC1.
What is the InChIKey of 1-[cycloheptyl(morpholin-4-yl)methyl]cyclohexane-1-carboxamide?
The InChIKey is IIRWQZAOSNDWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O2/c20-18(22)19(10-6-3-7-11-19)17(21-12-14-23-15-13-21)16-8-4-1-2-5-9-16/h16-17H,1-15H2,(H2,20,22).
What are the key properties of 1-[cycloheptyl(morpholin-4-yl)methyl]cyclohexane-1-carboxamide?
1-[cycloheptyl(morpholin-4-yl)methyl]cyclohexane-1-carboxamide has a molecular weight of 322.49 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cycloheptyl(morpholin-4-yl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 67406903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).