N-cyclohexyl-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide

C16H23N3O2 — CID 75465686

IUPACN-cyclohexyl-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide
SMILESO=C(Cn1nc2c(cc1=O)CCCC2)NC1CCCCC1
InChIInChI=1S/C16H23N3O2/c20-15(17-13-7-2-1-3-8-13)11-19-16(21)10-12-6-4-5-9-14(12)18-19/h10,13H,1-9,11H2,(H,17,20)
InChIKeyGVXBWEOETLNODR-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.57
Rot. Bonds3

About N-cyclohexyl-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide

N-cyclohexyl-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide (PubChem CID 75465686) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-cyclohexyl-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide
PubChem CID75465686
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-cyclohexyl-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide
SMILESO=C(Cn1nc2c(cc1=O)CCCC2)NC1CCCCC1
InChIInChI=1S/C16H23N3O2/c20-15(17-13-7-2-1-3-8-13)11-19-16(21)10-12-6-4-5-9-14(12)18-19/h10,13H,1-9,11H2,(H,17,20)
InChIKeyGVXBWEOETLNODR-UHFFFAOYSA-N
XLogP1.57
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide?
The IUPAC name of N-cyclohexyl-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide (CID 75465686) is N-cyclohexyl-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide?
The canonical SMILES for N-cyclohexyl-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide is O=C(Cn1nc2c(cc1=O)CCCC2)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide?
The InChIKey is GVXBWEOETLNODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c20-15(17-13-7-2-1-3-8-13)11-19-16(21)10-12-6-4-5-9-14(12)18-19/h10,13H,1-9,11H2,(H,17,20).
What are the key properties of N-cyclohexyl-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide?
N-cyclohexyl-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide has a molecular weight of 289.38 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide is sourced from PubChem (CID 75465686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).