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

C18H33N3O2 — CID 110201256

IUPAC(1S,11R)-N-(2-methylpropyl)-10-oxo-2,9-diazabicyclo[9.4.0]pentadecane-2-carboxamide
SMILESCC(C)CNC(=O)N1CCCCCCNC(=O)[C@@H]2CCCC[C@@H]21
InChIInChI=1S/C18H33N3O2/c1-14(2)13-20-18(23)21-12-8-4-3-7-11-19-17(22)15-9-5-6-10-16(15)21/h14-16H,3-13H2,1-2H3,(H,19,22)(H,20,23)/t15-,16+/m1/s1
InChIKeyZFOYYIHAHAAKFO-CVEARBPZSA-N
MW323.48 g/mol
LogP2.90
Rot. Bonds2

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

(1S,11R)-N-(2-methylpropyl)-10-oxo-2,9-diazabicyclo[9.4.0]pentadecane-2-carboxamide (PubChem CID 110201256) has the molecular formula C18H33N3O2 and a molecular weight of 323.48 g/mol. Its IUPAC name is (1S,11R)-N-(2-methylpropyl)-10-oxo-2,9-diazabicyclo[9.4.0]pentadecane-2-carboxamide.

Molecular Properties

Compound Name(1S,11R)-N-(2-methylpropyl)-10-oxo-2,9-diazabicyclo[9.4.0]pentadecane-2-carboxamide
PubChem CID110201256
Molecular FormulaC18H33N3O2
Molecular Weight323.48 g/mol
Exact Mass323.26
IUPAC Name(1S,11R)-N-(2-methylpropyl)-10-oxo-2,9-diazabicyclo[9.4.0]pentadecane-2-carboxamide
SMILESCC(C)CNC(=O)N1CCCCCCNC(=O)[C@@H]2CCCC[C@@H]21
InChIInChI=1S/C18H33N3O2/c1-14(2)13-20-18(23)21-12-8-4-3-7-11-19-17(22)15-9-5-6-10-16(15)21/h14-16H,3-13H2,1-2H3,(H,19,22)(H,20,23)/t15-,16+/m1/s1
InChIKeyZFOYYIHAHAAKFO-CVEARBPZSA-N
XLogP2.90
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,11R)-N-(2-methylpropyl)-10-oxo-2,9-diazabicyclo[9.4.0]pentadecane-2-carboxamide?
The IUPAC name of (1S,11R)-N-(2-methylpropyl)-10-oxo-2,9-diazabicyclo[9.4.0]pentadecane-2-carboxamide (CID 110201256) is (1S,11R)-N-(2-methylpropyl)-10-oxo-2,9-diazabicyclo[9.4.0]pentadecane-2-carboxamide.
What is the SMILES notation for (1S,11R)-N-(2-methylpropyl)-10-oxo-2,9-diazabicyclo[9.4.0]pentadecane-2-carboxamide?
The canonical SMILES for (1S,11R)-N-(2-methylpropyl)-10-oxo-2,9-diazabicyclo[9.4.0]pentadecane-2-carboxamide is CC(C)CNC(=O)N1CCCCCCNC(=O)[C@@H]2CCCC[C@@H]21.
What is the InChIKey of (1S,11R)-N-(2-methylpropyl)-10-oxo-2,9-diazabicyclo[9.4.0]pentadecane-2-carboxamide?
The InChIKey is ZFOYYIHAHAAKFO-CVEARBPZSA-N. The full InChI is InChI=1S/C18H33N3O2/c1-14(2)13-20-18(23)21-12-8-4-3-7-11-19-17(22)15-9-5-6-10-16(15)21/h14-16H,3-13H2,1-2H3,(H,19,22)(H,20,23)/t15-,16+/m1/s1.
What are the key properties of (1S,11R)-N-(2-methylpropyl)-10-oxo-2,9-diazabicyclo[9.4.0]pentadecane-2-carboxamide?
(1S,11R)-N-(2-methylpropyl)-10-oxo-2,9-diazabicyclo[9.4.0]pentadecane-2-carboxamide has a molecular weight of 323.48 g/mol, XLogP of 2.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,11R)-N-(2-methylpropyl)-10-oxo-2,9-diazabicyclo[9.4.0]pentadecane-2-carboxamide is sourced from PubChem (CID 110201256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).