N-[(1S)-1-cyclohexylethyl]-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide

C18H24N2O3 — CID 59802870

IUPACN-[(1S)-1-cyclohexylethyl]-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
SMILESC[C@H](NC(=O)Cc1ccc2c(c1)NC(=O)CO2)C1CCCCC1
InChIInChI=1S/C18H24N2O3/c1-12(14-5-3-2-4-6-14)19-17(21)10-13-7-8-16-15(9-13)20-18(22)11-23-16/h7-9,12,14H,2-6,10-11H2,1H3,(H,19,21)(H,20,22)/t12-/m0/s1
InChIKeyNUBWZXOWLFPXCM-LBPRGKRZSA-N
MW316.40 g/mol
LogP2.64
Rot. Bonds4

About N-[(1S)-1-cyclohexylethyl]-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide

N-[(1S)-1-cyclohexylethyl]-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide (PubChem CID 59802870) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-[(1S)-1-cyclohexylethyl]-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-cyclohexylethyl]-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
PubChem CID59802870
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC NameN-[(1S)-1-cyclohexylethyl]-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
SMILESC[C@H](NC(=O)Cc1ccc2c(c1)NC(=O)CO2)C1CCCCC1
InChIInChI=1S/C18H24N2O3/c1-12(14-5-3-2-4-6-14)19-17(21)10-13-7-8-16-15(9-13)20-18(22)11-23-16/h7-9,12,14H,2-6,10-11H2,1H3,(H,19,21)(H,20,22)/t12-/m0/s1
InChIKeyNUBWZXOWLFPXCM-LBPRGKRZSA-N
XLogP2.64
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-cyclohexylethyl]-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 59802886
6-(1-cyclohexylethylamino)-4H-1,4-benzoxazin-3-one
CID 43767738
2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetohydrazide
CID 19002730
6-[(cyclohexylamino)methyl]-4H-1,4-benzoxazin-3-one
CID 66716661
2-(4-methylphenyl)-N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]acetamide
CID 43071969
6-(3-chloro-2-oxopropyl)-4H-1,4-benzoxazin-3-one
CID 140510759
2-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylacetamide
CID 110770297
6-(2-oxo-2-piperidin-1-ylethyl)-4H-1,4-benzoxazin-3-one
CID 59802876
N-(1-adamantyl)-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 59802856
N-[(3-methylphenyl)methyl]-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 110770256
N-(4-tert-butylphenyl)-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 110770318
6-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-oxoethyl]-4H-1,4-benzoxazin-3-one
CID 110801707

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclohexylethyl]-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide?
The IUPAC name of N-[(1S)-1-cyclohexylethyl]-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide (CID 59802870) is N-[(1S)-1-cyclohexylethyl]-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide.
What is the SMILES notation for N-[(1S)-1-cyclohexylethyl]-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide?
The canonical SMILES for N-[(1S)-1-cyclohexylethyl]-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide is C[C@H](NC(=O)Cc1ccc2c(c1)NC(=O)CO2)C1CCCCC1.
What is the InChIKey of N-[(1S)-1-cyclohexylethyl]-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide?
The InChIKey is NUBWZXOWLFPXCM-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-12(14-5-3-2-4-6-14)19-17(21)10-13-7-8-16-15(9-13)20-18(22)11-23-16/h7-9,12,14H,2-6,10-11H2,1H3,(H,19,21)(H,20,22)/t12-/m0/s1.
What are the key properties of N-[(1S)-1-cyclohexylethyl]-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide?
N-[(1S)-1-cyclohexylethyl]-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide has a molecular weight of 316.40 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclohexylethyl]-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide is sourced from PubChem (CID 59802870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).