6-[(cyclohexylamino)methyl]-4H-1,4-benzoxazin-3-one

C15H20N2O2 — CID 66716661

IUPAC6-[(cyclohexylamino)methyl]-4H-1,4-benzoxazin-3-one
SMILESO=C1COc2ccc(CNC3CCCCC3)cc2N1
InChIInChI=1S/C15H20N2O2/c18-15-10-19-14-7-6-11(8-13(14)17-15)9-16-12-4-2-1-3-5-12/h6-8,12,16H,1-5,9-10H2,(H,17,18)
InChIKeyWLXHYXPPAPRXEE-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.44
Rot. Bonds3

About 6-[(cyclohexylamino)methyl]-4H-1,4-benzoxazin-3-one

6-[(cyclohexylamino)methyl]-4H-1,4-benzoxazin-3-one (PubChem CID 66716661) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 6-[(cyclohexylamino)methyl]-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-[(cyclohexylamino)methyl]-4H-1,4-benzoxazin-3-one
PubChem CID66716661
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name6-[(cyclohexylamino)methyl]-4H-1,4-benzoxazin-3-one
SMILESO=C1COc2ccc(CNC3CCCCC3)cc2N1
InChIInChI=1S/C15H20N2O2/c18-15-10-19-14-7-6-11(8-13(14)17-15)9-16-12-4-2-1-3-5-12/h6-8,12,16H,1-5,9-10H2,(H,17,18)
InChIKeyWLXHYXPPAPRXEE-UHFFFAOYSA-N
XLogP2.44
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-[(cyclobutylamino)methyl]-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 82498132
6-[(cyclopentyloxyamino)methyl]-4H-1,4-benzoxazin-3-one
CID 103075747
6-[[(2-oxopiperidin-3-yl)amino]methyl]-4H-1,4-benzoxazin-3-one
CID 103075541
6-[[(1-cyclopropylpyrrolidin-3-yl)amino]methyl]-4H-1,4-benzoxazin-3-one
CID 103075521
6-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]-4H-1,4-benzoxazin-3-one
CID 103075842
6-[[(2-hydroxycyclopentyl)methylamino]methyl]-4H-1,4-benzoxazin-3-one
CID 103075647
N-[(1R)-1-cyclohexylethyl]-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 59802886
N-[(1S)-1-cyclohexylethyl]-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 59802870
6-[(cyclobutylamino)methyl]-2-methyl-4H-1,4-benzoxazin-3-one
CID 82498131
6-[[(1-methylpiperidin-2-yl)methylamino]methyl]-4H-1,4-benzoxazin-3-one
CID 103075519
6-[[(1-methylcyclopropyl)amino]methyl]-4H-1,4-benzoxazin-3-one
CID 103075790
6-[[[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]amino]methyl]-4H-1,4-benzoxazin-3-one
CID 167970790

Frequently Asked Questions

What is the IUPAC name of 6-[(cyclohexylamino)methyl]-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6-[(cyclohexylamino)methyl]-4H-1,4-benzoxazin-3-one (CID 66716661) is 6-[(cyclohexylamino)methyl]-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-[(cyclohexylamino)methyl]-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6-[(cyclohexylamino)methyl]-4H-1,4-benzoxazin-3-one is O=C1COc2ccc(CNC3CCCCC3)cc2N1.
What is the InChIKey of 6-[(cyclohexylamino)methyl]-4H-1,4-benzoxazin-3-one?
The InChIKey is WLXHYXPPAPRXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c18-15-10-19-14-7-6-11(8-13(14)17-15)9-16-12-4-2-1-3-5-12/h6-8,12,16H,1-5,9-10H2,(H,17,18).
What are the key properties of 6-[(cyclohexylamino)methyl]-4H-1,4-benzoxazin-3-one?
6-[(cyclohexylamino)methyl]-4H-1,4-benzoxazin-3-one has a molecular weight of 260.34 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(cyclohexylamino)methyl]-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 66716661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).