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

C16H29N3O2 — CID 110201245

IUPAC(1S,11R)-N-ethyl-10-oxo-2,9-diazabicyclo[9.4.0]pentadecane-2-carboxamide
SMILESCCNC(=O)N1CCCCCCNC(=O)[C@@H]2CCCC[C@@H]21
InChIInChI=1S/C16H29N3O2/c1-2-17-16(21)19-12-8-4-3-7-11-18-15(20)13-9-5-6-10-14(13)19/h13-14H,2-12H2,1H3,(H,17,21)(H,18,20)/t13-,14+/m1/s1
InChIKeyNNZJKWBXGAWFCY-KGLIPLIRSA-N
MW295.43 g/mol
LogP2.27
Rot. Bonds1

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

(1S,11R)-N-ethyl-10-oxo-2,9-diazabicyclo[9.4.0]pentadecane-2-carboxamide (PubChem CID 110201245) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is (1S,11R)-N-ethyl-10-oxo-2,9-diazabicyclo[9.4.0]pentadecane-2-carboxamide.

Molecular Properties

Compound Name(1S,11R)-N-ethyl-10-oxo-2,9-diazabicyclo[9.4.0]pentadecane-2-carboxamide
PubChem CID110201245
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name(1S,11R)-N-ethyl-10-oxo-2,9-diazabicyclo[9.4.0]pentadecane-2-carboxamide
SMILESCCNC(=O)N1CCCCCCNC(=O)[C@@H]2CCCC[C@@H]21
InChIInChI=1S/C16H29N3O2/c1-2-17-16(21)19-12-8-4-3-7-11-18-15(20)13-9-5-6-10-14(13)19/h13-14H,2-12H2,1H3,(H,17,21)(H,18,20)/t13-,14+/m1/s1
InChIKeyNNZJKWBXGAWFCY-KGLIPLIRSA-N
XLogP2.27
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

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Related Compounds

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N-[2-(cyclohexanecarbonylamino)ethyl]-3-(dimethylamino)piperidine-1-carboxamide
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(1R,11S)-2-(2-cyclopentylacetyl)-2,9-diazabicyclo[9.4.0]pentadecan-10-one
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(1S,11R)-N,N-diethyl-10-oxo-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide
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(1S,11R)-2-(cyclopentanecarbonyl)-2,9-diazabicyclo[9.4.0]pentadecan-10-one
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Rel-(8AR,12AS)-N-ethyl-8-oxododecahydro-1,7-benzodiazecine-1(2H)-carboxamide
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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
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Frequently Asked Questions

What is the IUPAC name of (1S,11R)-N-ethyl-10-oxo-2,9-diazabicyclo[9.4.0]pentadecane-2-carboxamide?
The IUPAC name of (1S,11R)-N-ethyl-10-oxo-2,9-diazabicyclo[9.4.0]pentadecane-2-carboxamide (CID 110201245) is (1S,11R)-N-ethyl-10-oxo-2,9-diazabicyclo[9.4.0]pentadecane-2-carboxamide.
What is the SMILES notation for (1S,11R)-N-ethyl-10-oxo-2,9-diazabicyclo[9.4.0]pentadecane-2-carboxamide?
The canonical SMILES for (1S,11R)-N-ethyl-10-oxo-2,9-diazabicyclo[9.4.0]pentadecane-2-carboxamide is CCNC(=O)N1CCCCCCNC(=O)[C@@H]2CCCC[C@@H]21.
What is the InChIKey of (1S,11R)-N-ethyl-10-oxo-2,9-diazabicyclo[9.4.0]pentadecane-2-carboxamide?
The InChIKey is NNZJKWBXGAWFCY-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-2-17-16(21)19-12-8-4-3-7-11-18-15(20)13-9-5-6-10-14(13)19/h13-14H,2-12H2,1H3,(H,17,21)(H,18,20)/t13-,14+/m1/s1.
What are the key properties of (1S,11R)-N-ethyl-10-oxo-2,9-diazabicyclo[9.4.0]pentadecane-2-carboxamide?
(1S,11R)-N-ethyl-10-oxo-2,9-diazabicyclo[9.4.0]pentadecane-2-carboxamide has a molecular weight of 295.43 g/mol, XLogP of 2.27, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,11R)-N-ethyl-10-oxo-2,9-diazabicyclo[9.4.0]pentadecane-2-carboxamide is sourced from PubChem (CID 110201245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).