8-[2-[cyclohexyl(1-phenylethyl)amino]-1-hydroxyethyl]-6-hydroxy-4H-1,4-benzoxazin-3-one

C24H30N2O4 — CID 149158891

IUPAC8-[2-[cyclohexyl(1-phenylethyl)amino]-1-hydroxyethyl]-6-hydroxy-4H-1,4-benzoxazin-3-one
SMILESCC(c1ccccc1)N(CC(O)c1cc(O)cc2c1OCC(=O)N2)C1CCCCC1
InChIInChI=1S/C24H30N2O4/c1-16(17-8-4-2-5-9-17)26(18-10-6-3-7-11-18)14-22(28)20-12-19(27)13-21-24(20)30-15-23(29)25-21/h2,4-5,8-9,12-13,16,18,22,27-28H,3,6-7,10-11,14-15H2,1H3,(H,25,29)
InChIKeyFTKRXEYXPWQUIZ-UHFFFAOYSA-N
MW410.51 g/mol
LogP4.15
Rot. Bonds6

About 8-[2-[cyclohexyl(1-phenylethyl)amino]-1-hydroxyethyl]-6-hydroxy-4H-1,4-benzoxazin-3-one

8-[2-[cyclohexyl(1-phenylethyl)amino]-1-hydroxyethyl]-6-hydroxy-4H-1,4-benzoxazin-3-one (PubChem CID 149158891) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is 8-[2-[cyclohexyl(1-phenylethyl)amino]-1-hydroxyethyl]-6-hydroxy-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name8-[2-[cyclohexyl(1-phenylethyl)amino]-1-hydroxyethyl]-6-hydroxy-4H-1,4-benzoxazin-3-one
PubChem CID149158891
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC Name8-[2-[cyclohexyl(1-phenylethyl)amino]-1-hydroxyethyl]-6-hydroxy-4H-1,4-benzoxazin-3-one
SMILESCC(c1ccccc1)N(CC(O)c1cc(O)cc2c1OCC(=O)N2)C1CCCCC1
InChIInChI=1S/C24H30N2O4/c1-16(17-8-4-2-5-9-17)26(18-10-6-3-7-11-18)14-22(28)20-12-19(27)13-21-24(20)30-15-23(29)25-21/h2,4-5,8-9,12-13,16,18,22,27-28H,3,6-7,10-11,14-15H2,1H3,(H,25,29)
InChIKeyFTKRXEYXPWQUIZ-UHFFFAOYSA-N
XLogP4.15
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 8-[2-[cyclohexyl(1-phenylethyl)amino]-1-hydroxyethyl]-6-hydroxy-4H-1,4-benzoxazin-3-one with MolForge

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Related Compounds

8-[2-[[4-[3-(cyclopropylmethyl)-2-oxobenzimidazol-1-yl]-2-methylbutan-2-yl]amino]-1-hydroxyethyl]-6-hydroxy-4H-1,4-benzoxazin-3-one
CID 59796466
carbanide;6-hydroxy-8-[1-hydroxy-5-(4-methoxyphenyl)-4,4-dimethylpentyl]-4H-1,4-benzoxazin-3-one
CID 160512996
3-[cycloheptyl(1-phenylethyl)amino]propanoic acid
CID 82328438
8-[(1R)-2-[1-[2-[(3R)-3-[(2S)-2-cyclopentyl-2-hydroxy-2-phenylethoxy]-1-azoniabicyclo[2.2.2]octan-1-yl]ethoxy]butylamino]-1-hydroxyethyl]-6-hydroxy-4H-1,4-benzoxazin-3-one
CID 160946448
(E)-but-2-enedioic acid;2-(3,5-difluorophenyl)ethyl-[(2R)-2-hydroxy-2-(6-hydroxy-3-oxo-4H-1,4-benzoxazin-8-yl)ethyl]-dimethylazanium
CID 69497287
8-[(1R)-2-[1-[4-[3-[(3R)-3-(2-cyclopentyl-2-hydroxy-2-phenylethoxy)-1-azoniabicyclo[2.2.2]octan-1-yl]propoxy]-3-methylphenyl]ethylamino]-1-hydroxyethyl]-6-hydroxy-4H-1,4-benzoxazin-3-one
CID 153305562
8-[(1R)-2-[1-[4-[3-[(3R)-3-[(2S)-2-cyclopentyl-2-hydroxy-2-phenylethoxy]-1-azoniabicyclo[2.2.2]octan-1-yl]propoxy]-3-methylphenyl]ethylamino]-1-hydroxyethyl]-6-hydroxy-4H-1,4-benzoxazin-3-one;hydrobromide
CID 158052163
5-[1-[cyclohexyl(ethyl)amino]ethyl]benzene-1,3-diol
CID 107707910
8-(2-amino-1-hydroxyethyl)-4H-1,4-benzoxazin-3-one
CID 118692879
8-[1-hydroxy-2-[[2-methyl-1-(2,4,6-trimethylphenyl)propan-2-yl]amino]ethyl]-6-phenylmethoxy-4H-1,4-benzoxazin-3-one
CID 66726158
8-[2-[[1-(3,5-dimethylphenyl)-2-methylpropan-2-yl]amino]-1-hydroxyethyl]-6-phenylmethoxy-4H-1,4-benzoxazin-3-one
CID 22063449
6-[(1R)-1-hydroxyethyl]-4H-1,4-benzoxazin-3-one
CID 47003494

Frequently Asked Questions

What is the IUPAC name of 8-[2-[cyclohexyl(1-phenylethyl)amino]-1-hydroxyethyl]-6-hydroxy-4H-1,4-benzoxazin-3-one?
The IUPAC name of 8-[2-[cyclohexyl(1-phenylethyl)amino]-1-hydroxyethyl]-6-hydroxy-4H-1,4-benzoxazin-3-one (CID 149158891) is 8-[2-[cyclohexyl(1-phenylethyl)amino]-1-hydroxyethyl]-6-hydroxy-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 8-[2-[cyclohexyl(1-phenylethyl)amino]-1-hydroxyethyl]-6-hydroxy-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 8-[2-[cyclohexyl(1-phenylethyl)amino]-1-hydroxyethyl]-6-hydroxy-4H-1,4-benzoxazin-3-one is CC(c1ccccc1)N(CC(O)c1cc(O)cc2c1OCC(=O)N2)C1CCCCC1.
What is the InChIKey of 8-[2-[cyclohexyl(1-phenylethyl)amino]-1-hydroxyethyl]-6-hydroxy-4H-1,4-benzoxazin-3-one?
The InChIKey is FTKRXEYXPWQUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-16(17-8-4-2-5-9-17)26(18-10-6-3-7-11-18)14-22(28)20-12-19(27)13-21-24(20)30-15-23(29)25-21/h2,4-5,8-9,12-13,16,18,22,27-28H,3,6-7,10-11,14-15H2,1H3,(H,25,29).
What are the key properties of 8-[2-[cyclohexyl(1-phenylethyl)amino]-1-hydroxyethyl]-6-hydroxy-4H-1,4-benzoxazin-3-one?
8-[2-[cyclohexyl(1-phenylethyl)amino]-1-hydroxyethyl]-6-hydroxy-4H-1,4-benzoxazin-3-one has a molecular weight of 410.51 g/mol, XLogP of 4.15, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[cyclohexyl(1-phenylethyl)amino]-1-hydroxyethyl]-6-hydroxy-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 149158891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).