(1S,11R)-N-cyclohexyl-10-oxo-2,9-diazabicyclo[9.4.0]pentadecane-2-carboxamide

C20H35N3O2 — CID 110201242

IUPAC(1S,11R)-N-cyclohexyl-10-oxo-2,9-diazabicyclo[9.4.0]pentadecane-2-carboxamide
SMILESO=C1NCCCCCCN(C(=O)NC2CCCCC2)[C@H]2CCCC[C@@H]12
InChIInChI=1S/C20H35N3O2/c24-19-17-12-6-7-13-18(17)23(15-9-2-1-8-14-21-19)20(25)22-16-10-4-3-5-11-16/h16-18H,1-15H2,(H,21,24)(H,22,25)/t17-,18+/m1/s1
InChIKeyKSJJPEGWWNRLDR-MSOLQXFVSA-N
MW349.52 g/mol
LogP3.58
Rot. Bonds1

About (1S,11R)-N-cyclohexyl-10-oxo-2,9-diazabicyclo[9.4.0]pentadecane-2-carboxamide

(1S,11R)-N-cyclohexyl-10-oxo-2,9-diazabicyclo[9.4.0]pentadecane-2-carboxamide (PubChem CID 110201242) has the molecular formula C20H35N3O2 and a molecular weight of 349.52 g/mol. Its IUPAC name is (1S,11R)-N-cyclohexyl-10-oxo-2,9-diazabicyclo[9.4.0]pentadecane-2-carboxamide.

Molecular Properties

Compound Name(1S,11R)-N-cyclohexyl-10-oxo-2,9-diazabicyclo[9.4.0]pentadecane-2-carboxamide
PubChem CID110201242
Molecular FormulaC20H35N3O2
Molecular Weight349.52 g/mol
Exact Mass349.27
IUPAC Name(1S,11R)-N-cyclohexyl-10-oxo-2,9-diazabicyclo[9.4.0]pentadecane-2-carboxamide
SMILESO=C1NCCCCCCN(C(=O)NC2CCCCC2)[C@H]2CCCC[C@@H]12
InChIInChI=1S/C20H35N3O2/c24-19-17-12-6-7-13-18(17)23(15-9-2-1-8-14-21-19)20(25)22-16-10-4-3-5-11-16/h16-18H,1-15H2,(H,21,24)(H,22,25)/t17-,18+/m1/s1
InChIKeyKSJJPEGWWNRLDR-MSOLQXFVSA-N
XLogP3.58
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.52
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1S,11R)-N-cyclohexyl-10-oxo-2,9-diazabicyclo[9.4.0]pentadecane-2-carboxamide with MolForge

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Related Compounds

Piperidine-1,3-dicarboxylic acid 1-cyclohexylamide 3-cyclohexylmethyl-amide
CID 648462
Piperidine-1,4-dicarboxylic acid 1-cyclohexylamide 4-cyclohexylmethyl-amide
CID 654301
Piperidine-1,4-dicarboxylic acid 1-cyclohexylamide 4-[(2-methyl-cyclohexyl)-amide]
CID 648055
N-[2-(cyclohexanecarbonylamino)ethyl]-3-(dimethylamino)piperidine-1-carboxamide
CID 72145160
(1R,11S)-2-(2-cyclopentylacetyl)-2,9-diazabicyclo[9.4.0]pentadecan-10-one
CID 110201220
(1S,11R)-2-(cyclopentanecarbonyl)-2,9-diazabicyclo[9.4.0]pentadecan-10-one
CID 110201211
Rel-(9AR,13AS)-1-isobutyryltetradecahydro-9H-1,8-benzodiazacycloundecin-9-one
CID 110201226
9-Oxo-N-propyl-tetradecahydro-1H-1,8-benzodiazacycloundecane-1-carboxamide
CID 110201248
Rel-(8AR,12AS)-N-ethyl-8-oxododecahydro-1,7-benzodiazecine-1(2H)-carboxamide
CID 110201305
(2R)-2-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-N-cyclohexylpiperazine-1,2-dicarboxamide
CID 7673767
(2R)-2-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-N-propan-2-ylpiperazine-1,2-dicarboxamide
CID 11912140
N~1~-Cyclohexyl-4-{2-[(cyclohexylcarbonyl)amino]ethyl}tetrahydro-1(2H)-pyridinecarboxamide
CID 46381861

Frequently Asked Questions

What is the IUPAC name of (1S,11R)-N-cyclohexyl-10-oxo-2,9-diazabicyclo[9.4.0]pentadecane-2-carboxamide?
The IUPAC name of (1S,11R)-N-cyclohexyl-10-oxo-2,9-diazabicyclo[9.4.0]pentadecane-2-carboxamide (CID 110201242) is (1S,11R)-N-cyclohexyl-10-oxo-2,9-diazabicyclo[9.4.0]pentadecane-2-carboxamide.
What is the SMILES notation for (1S,11R)-N-cyclohexyl-10-oxo-2,9-diazabicyclo[9.4.0]pentadecane-2-carboxamide?
The canonical SMILES for (1S,11R)-N-cyclohexyl-10-oxo-2,9-diazabicyclo[9.4.0]pentadecane-2-carboxamide is O=C1NCCCCCCN(C(=O)NC2CCCCC2)[C@H]2CCCC[C@@H]12.
What is the InChIKey of (1S,11R)-N-cyclohexyl-10-oxo-2,9-diazabicyclo[9.4.0]pentadecane-2-carboxamide?
The InChIKey is KSJJPEGWWNRLDR-MSOLQXFVSA-N. The full InChI is InChI=1S/C20H35N3O2/c24-19-17-12-6-7-13-18(17)23(15-9-2-1-8-14-21-19)20(25)22-16-10-4-3-5-11-16/h16-18H,1-15H2,(H,21,24)(H,22,25)/t17-,18+/m1/s1.
What are the key properties of (1S,11R)-N-cyclohexyl-10-oxo-2,9-diazabicyclo[9.4.0]pentadecane-2-carboxamide?
(1S,11R)-N-cyclohexyl-10-oxo-2,9-diazabicyclo[9.4.0]pentadecane-2-carboxamide has a molecular weight of 349.52 g/mol, XLogP of 3.58, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,11R)-N-cyclohexyl-10-oxo-2,9-diazabicyclo[9.4.0]pentadecane-2-carboxamide is sourced from PubChem (CID 110201242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).