1-methyl-2-(1-morpholin-4-ylcycloheptyl)cyclohexane-1-carboxamide

C19H34N2O2 — CID 67406905

IUPAC1-methyl-2-(1-morpholin-4-ylcycloheptyl)cyclohexane-1-carboxamide
SMILESCC1(C(N)=O)CCCCC1C1(N2CCOCC2)CCCCCC1
InChIInChI=1S/C19H34N2O2/c1-18(17(20)22)9-7-4-8-16(18)19(10-5-2-3-6-11-19)21-12-14-23-15-13-21/h16H,2-15H2,1H3,(H2,20,22)
InChIKeyVTPHLLGQCHCSFG-UHFFFAOYSA-N
MW322.49 g/mol
LogP3.09
Rot. Bonds3

About 1-methyl-2-(1-morpholin-4-ylcycloheptyl)cyclohexane-1-carboxamide

1-methyl-2-(1-morpholin-4-ylcycloheptyl)cyclohexane-1-carboxamide (PubChem CID 67406905) has the molecular formula C19H34N2O2 and a molecular weight of 322.49 g/mol. Its IUPAC name is 1-methyl-2-(1-morpholin-4-ylcycloheptyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-methyl-2-(1-morpholin-4-ylcycloheptyl)cyclohexane-1-carboxamide
PubChem CID67406905
Molecular FormulaC19H34N2O2
Molecular Weight322.49 g/mol
Exact Mass322.26
IUPAC Name1-methyl-2-(1-morpholin-4-ylcycloheptyl)cyclohexane-1-carboxamide
SMILESCC1(C(N)=O)CCCCC1C1(N2CCOCC2)CCCCCC1
InChIInChI=1S/C19H34N2O2/c1-18(17(20)22)9-7-4-8-16(18)19(10-5-2-3-6-11-19)21-12-14-23-15-13-21/h16H,2-15H2,1H3,(H2,20,22)
InChIKeyVTPHLLGQCHCSFG-UHFFFAOYSA-N
XLogP3.09
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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-methyl-2-(1-morpholin-4-ylcycloheptyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-methyl-2-(1-morpholin-4-ylcycloheptyl)cyclohexane-1-carboxamide (CID 67406905) is 1-methyl-2-(1-morpholin-4-ylcycloheptyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-methyl-2-(1-morpholin-4-ylcycloheptyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-methyl-2-(1-morpholin-4-ylcycloheptyl)cyclohexane-1-carboxamide is CC1(C(N)=O)CCCCC1C1(N2CCOCC2)CCCCCC1.
What is the InChIKey of 1-methyl-2-(1-morpholin-4-ylcycloheptyl)cyclohexane-1-carboxamide?
The InChIKey is VTPHLLGQCHCSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O2/c1-18(17(20)22)9-7-4-8-16(18)19(10-5-2-3-6-11-19)21-12-14-23-15-13-21/h16H,2-15H2,1H3,(H2,20,22).
What are the key properties of 1-methyl-2-(1-morpholin-4-ylcycloheptyl)cyclohexane-1-carboxamide?
1-methyl-2-(1-morpholin-4-ylcycloheptyl)cyclohexane-1-carboxamide has a molecular weight of 322.49 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(1-morpholin-4-ylcycloheptyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 67406905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).