6-[(1R)-1-[[(2R)-2-hydroxy-3-naphthalen-2-ylpropyl]amino]ethyl]-4H-1,4-benzoxazin-3-one

C23H24N2O3 — CID 100615313

IUPAC6-[(1R)-1-[[(2R)-2-hydroxy-3-naphthalen-2-ylpropyl]amino]ethyl]-4H-1,4-benzoxazin-3-one
SMILESC[C@@H](NC[C@H](O)Cc1ccc2ccccc2c1)c1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C23H24N2O3/c1-15(18-8-9-22-21(12-18)25-23(27)14-28-22)24-13-20(26)11-16-6-7-17-4-2-3-5-19(17)10-16/h2-10,12,15,20,24,26H,11,13-14H2,1H3,(H,25,27)/t15-,20-/m1/s1
InChIKeyJRINESWTMRLYRQ-FOIQADDNSA-N
MW376.46 g/mol
LogP3.42
Rot. Bonds6

About 6-[(1R)-1-[[(2R)-2-hydroxy-3-naphthalen-2-ylpropyl]amino]ethyl]-4H-1,4-benzoxazin-3-one

6-[(1R)-1-[[(2R)-2-hydroxy-3-naphthalen-2-ylpropyl]amino]ethyl]-4H-1,4-benzoxazin-3-one (PubChem CID 100615313) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is 6-[(1R)-1-[[(2R)-2-hydroxy-3-naphthalen-2-ylpropyl]amino]ethyl]-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-[(1R)-1-[[(2R)-2-hydroxy-3-naphthalen-2-ylpropyl]amino]ethyl]-4H-1,4-benzoxazin-3-one
PubChem CID100615313
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name6-[(1R)-1-[[(2R)-2-hydroxy-3-naphthalen-2-ylpropyl]amino]ethyl]-4H-1,4-benzoxazin-3-one
SMILESC[C@@H](NC[C@H](O)Cc1ccc2ccccc2c1)c1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C23H24N2O3/c1-15(18-8-9-22-21(12-18)25-23(27)14-28-22)24-13-20(26)11-16-6-7-17-4-2-3-5-19(17)10-16/h2-10,12,15,20,24,26H,11,13-14H2,1H3,(H,25,27)/t15-,20-/m1/s1
InChIKeyJRINESWTMRLYRQ-FOIQADDNSA-N
XLogP3.42
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 6-[(1R)-1-[[(2R)-2-hydroxy-3-naphthalen-2-ylpropyl]amino]ethyl]-4H-1,4-benzoxazin-3-one with MolForge

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Related Compounds

2-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylamino]acetic acid
CID 43135032
2-(4-methylphenyl)-N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]acetamide
CID 43071969
6-[(1R)-1-hydroxyethyl]-4H-1,4-benzoxazin-3-one
CID 47003494
2-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylamino]ethylurea
CID 83110297
6-[1-[(1-hydroxycyclopentyl)methylamino]ethyl]-4H-1,4-benzoxazin-3-one
CID 65105217
methyl 3-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylamino]propanoate
CID 43322249
2-(2-methylphenyl)-N-[(1S)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]acetamide
CID 38958990
3-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylamino]propanenitrile
CID 43207723
5-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylamino]pentanamide
CID 103529812
6-[1-[(2-methoxy-2-methylpropyl)amino]ethyl]-4H-1,4-benzoxazin-3-one
CID 104759503
6-[1-hydroxy-3-(methylamino)propyl]-4H-1,4-benzoxazin-3-one
CID 82496759
6-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]ethyl]-4H-1,4-benzoxazin-3-one
CID 126769124

Frequently Asked Questions

What is the IUPAC name of 6-[(1R)-1-[[(2R)-2-hydroxy-3-naphthalen-2-ylpropyl]amino]ethyl]-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6-[(1R)-1-[[(2R)-2-hydroxy-3-naphthalen-2-ylpropyl]amino]ethyl]-4H-1,4-benzoxazin-3-one (CID 100615313) is 6-[(1R)-1-[[(2R)-2-hydroxy-3-naphthalen-2-ylpropyl]amino]ethyl]-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-[(1R)-1-[[(2R)-2-hydroxy-3-naphthalen-2-ylpropyl]amino]ethyl]-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6-[(1R)-1-[[(2R)-2-hydroxy-3-naphthalen-2-ylpropyl]amino]ethyl]-4H-1,4-benzoxazin-3-one is C[C@@H](NC[C@H](O)Cc1ccc2ccccc2c1)c1ccc2c(c1)NC(=O)CO2.
What is the InChIKey of 6-[(1R)-1-[[(2R)-2-hydroxy-3-naphthalen-2-ylpropyl]amino]ethyl]-4H-1,4-benzoxazin-3-one?
The InChIKey is JRINESWTMRLYRQ-FOIQADDNSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-15(18-8-9-22-21(12-18)25-23(27)14-28-22)24-13-20(26)11-16-6-7-17-4-2-3-5-19(17)10-16/h2-10,12,15,20,24,26H,11,13-14H2,1H3,(H,25,27)/t15-,20-/m1/s1.
What are the key properties of 6-[(1R)-1-[[(2R)-2-hydroxy-3-naphthalen-2-ylpropyl]amino]ethyl]-4H-1,4-benzoxazin-3-one?
6-[(1R)-1-[[(2R)-2-hydroxy-3-naphthalen-2-ylpropyl]amino]ethyl]-4H-1,4-benzoxazin-3-one has a molecular weight of 376.46 g/mol, XLogP of 3.42, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1R)-1-[[(2R)-2-hydroxy-3-naphthalen-2-ylpropyl]amino]ethyl]-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 100615313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).