(1S,11R)-2-(cyclohexanecarbonyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one

C20H34N2O2 — CID 110199353

IUPAC(1S,11R)-2-(cyclohexanecarbonyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one
SMILESCN1CCCCCCN(C(=O)C2CCCCC2)[C@H]2CCC[C@H]2C1=O
InChIInChI=1S/C20H34N2O2/c1-21-14-7-2-3-8-15-22(18-13-9-12-17(18)20(21)24)19(23)16-10-5-4-6-11-16/h16-18H,2-15H2,1H3/t17-,18+/m1/s1
InChIKeyDXFHXDJDPAZWAO-MSOLQXFVSA-N
MW334.50 g/mol
LogP3.60
Rot. Bonds1

About (1S,11R)-2-(cyclohexanecarbonyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one

(1S,11R)-2-(cyclohexanecarbonyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one (PubChem CID 110199353) has the molecular formula C20H34N2O2 and a molecular weight of 334.50 g/mol. Its IUPAC name is (1S,11R)-2-(cyclohexanecarbonyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one.

Molecular Properties

Compound Name(1S,11R)-2-(cyclohexanecarbonyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one
PubChem CID110199353
Molecular FormulaC20H34N2O2
Molecular Weight334.50 g/mol
Exact Mass334.26
IUPAC Name(1S,11R)-2-(cyclohexanecarbonyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one
SMILESCN1CCCCCCN(C(=O)C2CCCCC2)[C@H]2CCC[C@H]2C1=O
InChIInChI=1S/C20H34N2O2/c1-21-14-7-2-3-8-15-22(18-13-9-12-17(18)20(21)24)19(23)16-10-5-4-6-11-16/h16-18H,2-15H2,1H3/t17-,18+/m1/s1
InChIKeyDXFHXDJDPAZWAO-MSOLQXFVSA-N
XLogP3.60
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.50
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1S,11R)-2-(cyclohexanecarbonyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one with MolForge

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Related Compounds

(1S,11R)-9-methyl-2-(2-methylpropanoyl)-2,9-diazabicyclo[9.3.0]tetradecan-10-one
CID 110199390
(1S,11R)-9-methyl-2-propanoyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one
CID 110199397
(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
(1S,11R)-2-(cyclohexylmethyl)-2,9-diazabicyclo[9.3.0]tetradecan-10-one
CID 110199312
1-Cyclopropanecarbonyl-8-methyl-tetradecahydrocyclopenta[B]1,5-diazacycloundecan-9-one
CID 110199360
(1S,11R)-2-(cyclobutanecarbonyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one
CID 110199361
(1S,11R)-2-(1-acetylpiperidine-4-carbonyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one
CID 110199374
1-(3-Cyclopentylpropanoyl)-8-methyl-tetradecahydrocyclopenta[B]1,5-diazacycloundecan-9-one
CID 110199380
1-(2-Cyclohexylacetyl)-8-methyl-tetradecahydrocyclopenta[B]1,5-diazacycloundecan-9-one
CID 110199385
1-(2-Cyclopentylacetyl)-8-methyl-tetradecahydrocyclopenta[B]1,5-diazacycloundecan-9-one
CID 110199386
(1S,11R)-2-[2-(1-acetylpiperidin-4-yl)acetyl]-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one
CID 110199401

Frequently Asked Questions

What is the IUPAC name of (1S,11R)-2-(cyclohexanecarbonyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one?
The IUPAC name of (1S,11R)-2-(cyclohexanecarbonyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one (CID 110199353) is (1S,11R)-2-(cyclohexanecarbonyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one.
What is the SMILES notation for (1S,11R)-2-(cyclohexanecarbonyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one?
The canonical SMILES for (1S,11R)-2-(cyclohexanecarbonyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one is CN1CCCCCCN(C(=O)C2CCCCC2)[C@H]2CCC[C@H]2C1=O.
What is the InChIKey of (1S,11R)-2-(cyclohexanecarbonyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one?
The InChIKey is DXFHXDJDPAZWAO-MSOLQXFVSA-N. The full InChI is InChI=1S/C20H34N2O2/c1-21-14-7-2-3-8-15-22(18-13-9-12-17(18)20(21)24)19(23)16-10-5-4-6-11-16/h16-18H,2-15H2,1H3/t17-,18+/m1/s1.
What are the key properties of (1S,11R)-2-(cyclohexanecarbonyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one?
(1S,11R)-2-(cyclohexanecarbonyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one has a molecular weight of 334.50 g/mol, XLogP of 3.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,11R)-2-(cyclohexanecarbonyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one is sourced from PubChem (CID 110199353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).