2-[4-(methylamino)cyclohexyl]-4H-1,4-benzoxazin-3-one

C15H20N2O2 — CID 116990876

IUPAC2-[4-(methylamino)cyclohexyl]-4H-1,4-benzoxazin-3-one
SMILESCNC1CCC(C2Oc3ccccc3NC2=O)CC1
InChIInChI=1S/C15H20N2O2/c1-16-11-8-6-10(7-9-11)14-15(18)17-12-4-2-3-5-13(12)19-14/h2-5,10-11,14,16H,6-9H2,1H3,(H,17,18)
InChIKeyIPAYCVKSJZGCTO-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.16
Rot. Bonds2

About 2-[4-(methylamino)cyclohexyl]-4H-1,4-benzoxazin-3-one

2-[4-(methylamino)cyclohexyl]-4H-1,4-benzoxazin-3-one (PubChem CID 116990876) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-[4-(methylamino)cyclohexyl]-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name2-[4-(methylamino)cyclohexyl]-4H-1,4-benzoxazin-3-one
PubChem CID116990876
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-[4-(methylamino)cyclohexyl]-4H-1,4-benzoxazin-3-one
SMILESCNC1CCC(C2Oc3ccccc3NC2=O)CC1
InChIInChI=1S/C15H20N2O2/c1-16-11-8-6-10(7-9-11)14-15(18)17-12-4-2-3-5-13(12)19-14/h2-5,10-11,14,16H,6-9H2,1H3,(H,17,18)
InChIKeyIPAYCVKSJZGCTO-UHFFFAOYSA-N
XLogP2.16
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4H-1,4-benzoxazin-3-one
CID 10607101
1-(3-oxo-4H-1,4-benzoxazin-2-yl)cyclobutane-1-carbonitrile
CID 116990923
N-cyclohexyl-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
CID 42917506
ethane;2-(2-hydroxyethyl)-4H-1,4-benzoxazin-3-one
CID 90923836
methyl 1-(3-oxo-4H-1,4-benzoxazin-2-yl)cyclobutane-1-carboxylate
CID 116990928
3-cyclopropyl-2-oxo-1,5-dihydropyrrolo[2,3-b][1,4]oxazine-6-carboxylic acid
CID 82377367
2-methyl-2-(3-oxo-4H-1,4-benzoxazin-2-yl)propanenitrile
CID 116990898
2-(1-amino-2-methylpropan-2-yl)-4H-1,4-benzoxazin-3-one
CID 116990845
2-(2-aminoethyl)-4H-1,4-benzoxazin-3-one
CID 82111928
2-ethyl-N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]butanamide
CID 110404629
N-[(1R,2S)-2-methylcyclohexyl]-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
CID 7481050
(3S)-3-ethenyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 143582552

Frequently Asked Questions

What is the IUPAC name of 2-[4-(methylamino)cyclohexyl]-4H-1,4-benzoxazin-3-one?
The IUPAC name of 2-[4-(methylamino)cyclohexyl]-4H-1,4-benzoxazin-3-one (CID 116990876) is 2-[4-(methylamino)cyclohexyl]-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 2-[4-(methylamino)cyclohexyl]-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 2-[4-(methylamino)cyclohexyl]-4H-1,4-benzoxazin-3-one is CNC1CCC(C2Oc3ccccc3NC2=O)CC1.
What is the InChIKey of 2-[4-(methylamino)cyclohexyl]-4H-1,4-benzoxazin-3-one?
The InChIKey is IPAYCVKSJZGCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-16-11-8-6-10(7-9-11)14-15(18)17-12-4-2-3-5-13(12)19-14/h2-5,10-11,14,16H,6-9H2,1H3,(H,17,18).
What are the key properties of 2-[4-(methylamino)cyclohexyl]-4H-1,4-benzoxazin-3-one?
2-[4-(methylamino)cyclohexyl]-4H-1,4-benzoxazin-3-one has a molecular weight of 260.34 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methylamino)cyclohexyl]-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 116990876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).