N-cyclohexyl-3-oxo-4H-1,4-benzoxazine-5-carboxamide

C15H18N2O3 — CID 110699638

IUPACN-cyclohexyl-3-oxo-4H-1,4-benzoxazine-5-carboxamide
SMILESO=C1COc2cccc(C(=O)NC3CCCCC3)c2N1
InChIInChI=1S/C15H18N2O3/c18-13-9-20-12-8-4-7-11(14(12)17-13)15(19)16-10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9H2,(H,16,19)(H,17,18)
InChIKeyPVFDEDFFIFEINE-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.08
Rot. Bonds2

About N-cyclohexyl-3-oxo-4H-1,4-benzoxazine-5-carboxamide

N-cyclohexyl-3-oxo-4H-1,4-benzoxazine-5-carboxamide (PubChem CID 110699638) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-cyclohexyl-3-oxo-4H-1,4-benzoxazine-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-3-oxo-4H-1,4-benzoxazine-5-carboxamide
PubChem CID110699638
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC NameN-cyclohexyl-3-oxo-4H-1,4-benzoxazine-5-carboxamide
SMILESO=C1COc2cccc(C(=O)NC3CCCCC3)c2N1
InChIInChI=1S/C15H18N2O3/c18-13-9-20-12-8-4-7-11(14(12)17-13)15(19)16-10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9H2,(H,16,19)(H,17,18)
InChIKeyPVFDEDFFIFEINE-UHFFFAOYSA-N
XLogP2.08
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-oxo-4H-1,4-benzoxazine-5-carboxamide?
The IUPAC name of N-cyclohexyl-3-oxo-4H-1,4-benzoxazine-5-carboxamide (CID 110699638) is N-cyclohexyl-3-oxo-4H-1,4-benzoxazine-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-3-oxo-4H-1,4-benzoxazine-5-carboxamide?
The canonical SMILES for N-cyclohexyl-3-oxo-4H-1,4-benzoxazine-5-carboxamide is O=C1COc2cccc(C(=O)NC3CCCCC3)c2N1.
What is the InChIKey of N-cyclohexyl-3-oxo-4H-1,4-benzoxazine-5-carboxamide?
The InChIKey is PVFDEDFFIFEINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c18-13-9-20-12-8-4-7-11(14(12)17-13)15(19)16-10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9H2,(H,16,19)(H,17,18).
What are the key properties of N-cyclohexyl-3-oxo-4H-1,4-benzoxazine-5-carboxamide?
N-cyclohexyl-3-oxo-4H-1,4-benzoxazine-5-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-oxo-4H-1,4-benzoxazine-5-carboxamide is sourced from PubChem (CID 110699638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).