N-cyclohexyl-5-methyl-4-oxo-1,5-diazacycloundecane-1-carboxamide

C17H31N3O2 — CID 110201434

IUPACN-cyclohexyl-5-methyl-4-oxo-1,5-diazacycloundecane-1-carboxamide
SMILESCN1CCCCCCN(C(=O)NC2CCCCC2)CCC1=O
InChIInChI=1S/C17H31N3O2/c1-19-12-7-2-3-8-13-20(14-11-16(19)21)17(22)18-15-9-5-4-6-10-15/h15H,2-14H2,1H3,(H,18,22)
InChIKeyKSBGBYRPQZEDKQ-UHFFFAOYSA-N
MW309.45 g/mol
LogP2.75
Rot. Bonds1

About N-cyclohexyl-5-methyl-4-oxo-1,5-diazacycloundecane-1-carboxamide

N-cyclohexyl-5-methyl-4-oxo-1,5-diazacycloundecane-1-carboxamide (PubChem CID 110201434) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is N-cyclohexyl-5-methyl-4-oxo-1,5-diazacycloundecane-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5-methyl-4-oxo-1,5-diazacycloundecane-1-carboxamide
PubChem CID110201434
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC NameN-cyclohexyl-5-methyl-4-oxo-1,5-diazacycloundecane-1-carboxamide
SMILESCN1CCCCCCN(C(=O)NC2CCCCC2)CCC1=O
InChIInChI=1S/C17H31N3O2/c1-19-12-7-2-3-8-13-20(14-11-16(19)21)17(22)18-15-9-5-4-6-10-15/h15H,2-14H2,1H3,(H,18,22)
InChIKeyKSBGBYRPQZEDKQ-UHFFFAOYSA-N
XLogP2.75
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-methyl-4-oxo-1,5-diazacycloundecane-1-carboxamide?
The IUPAC name of N-cyclohexyl-5-methyl-4-oxo-1,5-diazacycloundecane-1-carboxamide (CID 110201434) is N-cyclohexyl-5-methyl-4-oxo-1,5-diazacycloundecane-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-5-methyl-4-oxo-1,5-diazacycloundecane-1-carboxamide?
The canonical SMILES for N-cyclohexyl-5-methyl-4-oxo-1,5-diazacycloundecane-1-carboxamide is CN1CCCCCCN(C(=O)NC2CCCCC2)CCC1=O.
What is the InChIKey of N-cyclohexyl-5-methyl-4-oxo-1,5-diazacycloundecane-1-carboxamide?
The InChIKey is KSBGBYRPQZEDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2/c1-19-12-7-2-3-8-13-20(14-11-16(19)21)17(22)18-15-9-5-4-6-10-15/h15H,2-14H2,1H3,(H,18,22).
What are the key properties of N-cyclohexyl-5-methyl-4-oxo-1,5-diazacycloundecane-1-carboxamide?
N-cyclohexyl-5-methyl-4-oxo-1,5-diazacycloundecane-1-carboxamide has a molecular weight of 309.45 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-methyl-4-oxo-1,5-diazacycloundecane-1-carboxamide is sourced from PubChem (CID 110201434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).