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

C17H31N3O2 — CID 110201247

IUPAC(1S,11R)-10-oxo-N-propan-2-yl-2,9-diazabicyclo[9.4.0]pentadecane-2-carboxamide
SMILESCC(C)NC(=O)N1CCCCCCNC(=O)[C@@H]2CCCC[C@@H]21
InChIInChI=1S/C17H31N3O2/c1-13(2)19-17(22)20-12-8-4-3-7-11-18-16(21)14-9-5-6-10-15(14)20/h13-15H,3-12H2,1-2H3,(H,18,21)(H,19,22)/t14-,15+/m1/s1
InChIKeyISMXHSMQGDBVGD-CABCVRRESA-N
MW309.45 g/mol
LogP2.66
Rot. Bonds1

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

(1S,11R)-10-oxo-N-propan-2-yl-2,9-diazabicyclo[9.4.0]pentadecane-2-carboxamide (PubChem CID 110201247) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is (1S,11R)-10-oxo-N-propan-2-yl-2,9-diazabicyclo[9.4.0]pentadecane-2-carboxamide.

Molecular Properties

Compound Name(1S,11R)-10-oxo-N-propan-2-yl-2,9-diazabicyclo[9.4.0]pentadecane-2-carboxamide
PubChem CID110201247
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC Name(1S,11R)-10-oxo-N-propan-2-yl-2,9-diazabicyclo[9.4.0]pentadecane-2-carboxamide
SMILESCC(C)NC(=O)N1CCCCCCNC(=O)[C@@H]2CCCC[C@@H]21
InChIInChI=1S/C17H31N3O2/c1-13(2)19-17(22)20-12-8-4-3-7-11-18-16(21)14-9-5-6-10-15(14)20/h13-15H,3-12H2,1-2H3,(H,18,21)(H,19,22)/t14-,15+/m1/s1
InChIKeyISMXHSMQGDBVGD-CABCVRRESA-N
XLogP2.66
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

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Related Compounds

Piperidine-1,3-dicarboxylic acid 3-sec-butylamide 1-cyclohexylamide
CID 3222852
2-amino-N-methylcyclohexane-1-carboxamide
CID 13697510
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)-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
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)-1-(3-methylbutanoyl)dodecahydro-1,7-benzodiazecin-8(1H)-one
CID 110201283
Rel-(8AR,12AS)-N-ethyl-8-oxododecahydro-1,7-benzodiazecine-1(2H)-carboxamide
CID 110201305
N1,N1-dimethyl-N4-(2-methylcyclohexyl)piperidine-1,4-dicarboxamide
CID 4148092
(2R)-2-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-N-propan-2-ylpiperazine-1,2-dicarboxamide
CID 11912140

Frequently Asked Questions

What is the IUPAC name of (1S,11R)-10-oxo-N-propan-2-yl-2,9-diazabicyclo[9.4.0]pentadecane-2-carboxamide?
The IUPAC name of (1S,11R)-10-oxo-N-propan-2-yl-2,9-diazabicyclo[9.4.0]pentadecane-2-carboxamide (CID 110201247) is (1S,11R)-10-oxo-N-propan-2-yl-2,9-diazabicyclo[9.4.0]pentadecane-2-carboxamide.
What is the SMILES notation for (1S,11R)-10-oxo-N-propan-2-yl-2,9-diazabicyclo[9.4.0]pentadecane-2-carboxamide?
The canonical SMILES for (1S,11R)-10-oxo-N-propan-2-yl-2,9-diazabicyclo[9.4.0]pentadecane-2-carboxamide is CC(C)NC(=O)N1CCCCCCNC(=O)[C@@H]2CCCC[C@@H]21.
What is the InChIKey of (1S,11R)-10-oxo-N-propan-2-yl-2,9-diazabicyclo[9.4.0]pentadecane-2-carboxamide?
The InChIKey is ISMXHSMQGDBVGD-CABCVRRESA-N. The full InChI is InChI=1S/C17H31N3O2/c1-13(2)19-17(22)20-12-8-4-3-7-11-18-16(21)14-9-5-6-10-15(14)20/h13-15H,3-12H2,1-2H3,(H,18,21)(H,19,22)/t14-,15+/m1/s1.
What are the key properties of (1S,11R)-10-oxo-N-propan-2-yl-2,9-diazabicyclo[9.4.0]pentadecane-2-carboxamide?
(1S,11R)-10-oxo-N-propan-2-yl-2,9-diazabicyclo[9.4.0]pentadecane-2-carboxamide has a molecular weight of 309.45 g/mol, XLogP of 2.66, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,11R)-10-oxo-N-propan-2-yl-2,9-diazabicyclo[9.4.0]pentadecane-2-carboxamide is sourced from PubChem (CID 110201247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).