4-cyclohexyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide

C18H24N2O3 — CID 29357799

IUPAC4-cyclohexyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide
SMILESO=C(CCCC1CCCCC1)Nc1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C18H24N2O3/c21-17(8-4-7-13-5-2-1-3-6-13)19-14-9-10-16-15(11-14)20-18(22)12-23-16/h9-11,13H,1-8,12H2,(H,19,21)(H,20,22)
InChIKeyCVHPPMIRGNOCQW-UHFFFAOYSA-N
MW316.40 g/mol
LogP3.71
Rot. Bonds5

About 4-cyclohexyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide

4-cyclohexyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide (PubChem CID 29357799) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 4-cyclohexyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide.

Molecular Properties

Compound Name4-cyclohexyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide
PubChem CID29357799
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name4-cyclohexyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide
SMILESO=C(CCCC1CCCCC1)Nc1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C18H24N2O3/c21-17(8-4-7-13-5-2-1-3-6-13)19-14-9-10-16-15(11-14)20-18(22)12-23-16/h9-11,13H,1-8,12H2,(H,19,21)(H,20,22)
InChIKeyCVHPPMIRGNOCQW-UHFFFAOYSA-N
XLogP3.71
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-oxo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pentanamide
CID 60637259
3-(4-methyl-2,6-dioxo-1,3-diazinan-5-yl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
CID 74611213
3,3-dimethyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide
CID 24654705
3-(4-chlorophenyl)sulfanyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
CID 51153528
3-cyclohexyl-N-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]propanamide
CID 20995330
1-(2-cyclopentylethyl)-3-(3-oxo-4H-1,4-benzoxazin-7-yl)urea
CID 78893386
2-(4-hydroxyphenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 78838052
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78957972
(2S)-4-oxo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)azetidine-2-carboxamide
CID 59802652
4-(methylamino)-N-(3-oxo-4H-1,4-benzoxazin-7-yl)butanamide
CID 119704209
4-amino-N-(3-oxo-4H-1,4-benzoxazin-7-yl)butanamide;hydrochloride
CID 119279086
3-cyclohexyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide
CID 31720740

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide?
The IUPAC name of 4-cyclohexyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide (CID 29357799) is 4-cyclohexyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide.
What is the SMILES notation for 4-cyclohexyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide?
The canonical SMILES for 4-cyclohexyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide is O=C(CCCC1CCCCC1)Nc1ccc2c(c1)NC(=O)CO2.
What is the InChIKey of 4-cyclohexyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide?
The InChIKey is CVHPPMIRGNOCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c21-17(8-4-7-13-5-2-1-3-6-13)19-14-9-10-16-15(11-14)20-18(22)12-23-16/h9-11,13H,1-8,12H2,(H,19,21)(H,20,22).
What are the key properties of 4-cyclohexyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide?
4-cyclohexyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide has a molecular weight of 316.40 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide is sourced from PubChem (CID 29357799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).