(1S,11R)-N-cyclohexyl-10-oxo-6-oxa-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide

C18H31N3O3 — CID 110202156

IUPAC(1S,11R)-N-cyclohexyl-10-oxo-6-oxa-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide
SMILESO=C1NCCOCCCN(C(=O)NC2CCCCC2)[C@H]2CCC[C@@H]12
InChIInChI=1S/C18H31N3O3/c22-17-15-8-4-9-16(15)21(11-5-12-24-13-10-19-17)18(23)20-14-6-2-1-3-7-14/h14-16H,1-13H2,(H,19,22)(H,20,23)/t15-,16+/m1/s1
InChIKeyZHECQNDRRWWYHJ-CVEARBPZSA-N
MW337.46 g/mol
LogP2.04
Rot. Bonds1

About (1S,11R)-N-cyclohexyl-10-oxo-6-oxa-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide

(1S,11R)-N-cyclohexyl-10-oxo-6-oxa-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide (PubChem CID 110202156) has the molecular formula C18H31N3O3 and a molecular weight of 337.46 g/mol. Its IUPAC name is (1S,11R)-N-cyclohexyl-10-oxo-6-oxa-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide.

Molecular Properties

Compound Name(1S,11R)-N-cyclohexyl-10-oxo-6-oxa-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide
PubChem CID110202156
Molecular FormulaC18H31N3O3
Molecular Weight337.46 g/mol
Exact Mass337.24
IUPAC Name(1S,11R)-N-cyclohexyl-10-oxo-6-oxa-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide
SMILESO=C1NCCOCCCN(C(=O)NC2CCCCC2)[C@H]2CCC[C@@H]12
InChIInChI=1S/C18H31N3O3/c22-17-15-8-4-9-16(15)21(11-5-12-24-13-10-19-17)18(23)20-14-6-2-1-3-7-14/h14-16H,1-13H2,(H,19,22)(H,20,23)/t15-,16+/m1/s1
InChIKeyZHECQNDRRWWYHJ-CVEARBPZSA-N
XLogP2.04
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1S,11R)-N-cyclohexyl-10-oxo-6-oxa-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide with MolForge

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Related Compounds

(1S,11R)-2-(thiophene-2-carbonyl)-6-oxa-2,9-diazabicyclo[9.4.0]pentadecan-10-one
CID 110202313
(8aR,11aS)-1-(2-morpholin-4-ylacetyl)-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecin-8-one
CID 110201560
N-cyclobutyl-2-piperidin-4-ylazepane-1-carboxamide
CID 116658214
1-(pyridine-4-carbonyl)-2,3,5,6,7,8a,9,10,11,11a-decahydrocyclopenta[e][1,4,8]oxadiazecin-8-one
CID 156612103
1-(5-methylpyrazine-2-carbonyl)-2,3,5,6,7,8a,9,10,11,11a-decahydrocyclopenta[e][1,4,8]oxadiazecin-8-one
CID 156612100
(1S,11R)-N-benzyl-10-oxo-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide
CID 110199324
(1S,11R)-2-(cyclopentanecarbonyl)-2,9-diazabicyclo[9.4.0]pentadecan-10-one
CID 110201211
2-(4-chloro-2-methoxybenzoyl)-6-oxa-2,9-diazabicyclo[9.4.0]pentadecan-10-one
CID 171320455
(8aR,11aS)-N-[(4-fluorophenyl)methyl]-8-oxo-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecine-1-carboxamide
CID 110201610
(8aR,12aS)-N-[(4-methylphenyl)methyl]-8-oxo-2,3,4,5,6,7,8a,9,10,11,12,12a-dodecahydrobenzo[b][1,5]diazecine-1-carboxamide
CID 110201310
N-[(4-methylphenyl)methyl]-10-oxo-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide
CID 156611612
1-methylsulfonyl-2,3,5,6,7,8a,9,10,11,11a-decahydrocyclopenta[e][1,4,8]oxadiazecin-8-one
CID 156612111

Frequently Asked Questions

What is the IUPAC name of (1S,11R)-N-cyclohexyl-10-oxo-6-oxa-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide?
The IUPAC name of (1S,11R)-N-cyclohexyl-10-oxo-6-oxa-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide (CID 110202156) is (1S,11R)-N-cyclohexyl-10-oxo-6-oxa-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide.
What is the SMILES notation for (1S,11R)-N-cyclohexyl-10-oxo-6-oxa-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide?
The canonical SMILES for (1S,11R)-N-cyclohexyl-10-oxo-6-oxa-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide is O=C1NCCOCCCN(C(=O)NC2CCCCC2)[C@H]2CCC[C@@H]12.
What is the InChIKey of (1S,11R)-N-cyclohexyl-10-oxo-6-oxa-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide?
The InChIKey is ZHECQNDRRWWYHJ-CVEARBPZSA-N. The full InChI is InChI=1S/C18H31N3O3/c22-17-15-8-4-9-16(15)21(11-5-12-24-13-10-19-17)18(23)20-14-6-2-1-3-7-14/h14-16H,1-13H2,(H,19,22)(H,20,23)/t15-,16+/m1/s1.
What are the key properties of (1S,11R)-N-cyclohexyl-10-oxo-6-oxa-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide?
(1S,11R)-N-cyclohexyl-10-oxo-6-oxa-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide has a molecular weight of 337.46 g/mol, XLogP of 2.04, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,11R)-N-cyclohexyl-10-oxo-6-oxa-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide is sourced from PubChem (CID 110202156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).