(1S,11R)-N-cyclohexyl-9-methyl-10-oxo-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide

C20H35N3O2 — CID 110199418

IUPAC(1S,11R)-N-cyclohexyl-9-methyl-10-oxo-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide
SMILESCN1CCCCCCN(C(=O)NC2CCCCC2)[C@H]2CCC[C@H]2C1=O
InChIInChI=1S/C20H35N3O2/c1-22-14-7-2-3-8-15-23(18-13-9-12-17(18)19(22)24)20(25)21-16-10-5-4-6-11-16/h16-18H,2-15H2,1H3,(H,21,25)/t17-,18+/m1/s1
InChIKeyPZLGUFQEPIKKME-MSOLQXFVSA-N
MW349.52 g/mol
LogP3.53
Rot. Bonds1

About (1S,11R)-N-cyclohexyl-9-methyl-10-oxo-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide

(1S,11R)-N-cyclohexyl-9-methyl-10-oxo-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide (PubChem CID 110199418) has the molecular formula C20H35N3O2 and a molecular weight of 349.52 g/mol. Its IUPAC name is (1S,11R)-N-cyclohexyl-9-methyl-10-oxo-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide.

Molecular Properties

Compound Name(1S,11R)-N-cyclohexyl-9-methyl-10-oxo-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide
PubChem CID110199418
Molecular FormulaC20H35N3O2
Molecular Weight349.52 g/mol
Exact Mass349.27
IUPAC Name(1S,11R)-N-cyclohexyl-9-methyl-10-oxo-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide
SMILESCN1CCCCCCN(C(=O)NC2CCCCC2)[C@H]2CCC[C@H]2C1=O
InChIInChI=1S/C20H35N3O2/c1-22-14-7-2-3-8-15-23(18-13-9-12-17(18)19(22)24)20(25)21-16-10-5-4-6-11-16/h16-18H,2-15H2,1H3,(H,21,25)/t17-,18+/m1/s1
InChIKeyPZLGUFQEPIKKME-MSOLQXFVSA-N
XLogP3.53
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.52
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S,11R)-N-cyclohexyl-9-methyl-10-oxo-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide with MolForge

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Related Compounds

Piperidine-1,3-dicarboxylic acid 3-sec-butylamide 1-cyclohexylamide
CID 3222852
N-[2-(cyclopentanecarbonylamino)ethyl]-3-(dimethylamino)piperidine-1-carboxamide
CID 72145133
(1R,11S)-2-(2-cyclopentylacetyl)-2,9-diazabicyclo[9.4.0]pentadecan-10-one
CID 110201220
N-Ethyl-8-oxo-dodecahydro-1H-cyclopenta[B][1,5]diazecine-1-carboxamide
CID 110201607
(1S,11R)-N,N-diethyl-10-oxo-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide
CID 110199325
(1S,11R)-2-(cyclopentanecarbonyl)-2,9-diazabicyclo[9.4.0]pentadecan-10-one
CID 110201211
9-Oxo-N-propyl-tetradecahydro-1H-1,8-benzodiazacycloundecane-1-carboxamide
CID 110201248
(9aR,12aS)-1-isopentyldodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
CID 110199292
N-Cyclohexyl-4-[2-(cyclopentylformamido)ethyl]piperidine-1-carboxamide
CID 46381867
3-[3-methyl-4-(4-methylpiperidin-1-yl)isoxazolo[5,4-d]pyrimidin-6-yl]-N-(1-phenylethyl)propanamide
CID 46381882
(1S,11R)-2-(cyclobutanecarbonyl)-2,9-diazabicyclo[9.3.0]tetradecan-10-one
CID 110199253
(1S,11R)-2-propanoyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one
CID 110199282

Frequently Asked Questions

What is the IUPAC name of (1S,11R)-N-cyclohexyl-9-methyl-10-oxo-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide?
The IUPAC name of (1S,11R)-N-cyclohexyl-9-methyl-10-oxo-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide (CID 110199418) is (1S,11R)-N-cyclohexyl-9-methyl-10-oxo-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide.
What is the SMILES notation for (1S,11R)-N-cyclohexyl-9-methyl-10-oxo-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide?
The canonical SMILES for (1S,11R)-N-cyclohexyl-9-methyl-10-oxo-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide is CN1CCCCCCN(C(=O)NC2CCCCC2)[C@H]2CCC[C@H]2C1=O.
What is the InChIKey of (1S,11R)-N-cyclohexyl-9-methyl-10-oxo-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide?
The InChIKey is PZLGUFQEPIKKME-MSOLQXFVSA-N. The full InChI is InChI=1S/C20H35N3O2/c1-22-14-7-2-3-8-15-23(18-13-9-12-17(18)19(22)24)20(25)21-16-10-5-4-6-11-16/h16-18H,2-15H2,1H3,(H,21,25)/t17-,18+/m1/s1.
What are the key properties of (1S,11R)-N-cyclohexyl-9-methyl-10-oxo-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide?
(1S,11R)-N-cyclohexyl-9-methyl-10-oxo-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide has a molecular weight of 349.52 g/mol, XLogP of 3.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,11R)-N-cyclohexyl-9-methyl-10-oxo-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide is sourced from PubChem (CID 110199418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).