N-(3-cyclohexyloxypropyl)-2-[(3-oxo-4H-1,4-benzoxazin-7-yl)oxy]acetamide

C19H26N2O5 — CID 166266578

IUPACN-(3-cyclohexyloxypropyl)-2-[(3-oxo-4H-1,4-benzoxazin-7-yl)oxy]acetamide
SMILESO=C(COc1ccc2c(c1)OCC(=O)N2)NCCCOC1CCCCC1
InChIInChI=1S/C19H26N2O5/c22-18(20-9-4-10-24-14-5-2-1-3-6-14)12-25-15-7-8-16-17(11-15)26-13-19(23)21-16/h7-8,11,14H,1-6,9-10,12-13H2,(H,20,22)(H,21,23)
InChIKeyWABYGBTXELLCHI-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.25
Rot. Bonds8

About N-(3-cyclohexyloxypropyl)-2-[(3-oxo-4H-1,4-benzoxazin-7-yl)oxy]acetamide

N-(3-cyclohexyloxypropyl)-2-[(3-oxo-4H-1,4-benzoxazin-7-yl)oxy]acetamide (PubChem CID 166266578) has the molecular formula C19H26N2O5 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-(3-cyclohexyloxypropyl)-2-[(3-oxo-4H-1,4-benzoxazin-7-yl)oxy]acetamide.

Molecular Properties

Compound NameN-(3-cyclohexyloxypropyl)-2-[(3-oxo-4H-1,4-benzoxazin-7-yl)oxy]acetamide
PubChem CID166266578
Molecular FormulaC19H26N2O5
Molecular Weight362.43 g/mol
Exact Mass362.18
IUPAC NameN-(3-cyclohexyloxypropyl)-2-[(3-oxo-4H-1,4-benzoxazin-7-yl)oxy]acetamide
SMILESO=C(COc1ccc2c(c1)OCC(=O)N2)NCCCOC1CCCCC1
InChIInChI=1S/C19H26N2O5/c22-18(20-9-4-10-24-14-5-2-1-3-6-14)12-25-15-7-8-16-17(11-15)26-13-19(23)21-16/h7-8,11,14H,1-6,9-10,12-13H2,(H,20,22)(H,21,23)
InChIKeyWABYGBTXELLCHI-UHFFFAOYSA-N
XLogP2.25
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-cyclohexyloxypropyl)-2-(4-methylphenoxy)acetamide
CID 134030025
N-(3-cyclohexyloxypropyl)-2-(3-methylphenoxy)acetamide
CID 134029943
N-(3-cyclohexyloxypropyl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 40659124
N-[3-[2-(3-cyclohexyloxypropylamino)-2-oxoethoxy]phenyl]benzamide
CID 78902869
2-(4-fluorophenoxy)-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]acetamide
CID 110789954
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(3-cyclohexyloxypropyl)acetamide
CID 31950779
N-(2-cyclopentylethyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 39997989
7-prop-2-enoxy-4H-1,4-benzoxazin-3-one
CID 19067995
N-(3-cyclohexyloxypropyl)-2-(2-oxo-1-pyridinyl)acetamide
CID 74246595
N-(3-cyclopentyloxypropyl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 49047645
N-(3-cyclohexyloxypropyl)-2-(2-nitrophenoxy)acetamide
CID 51222276
7-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]amino]heptanoic acid
CID 71936315

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexyloxypropyl)-2-[(3-oxo-4H-1,4-benzoxazin-7-yl)oxy]acetamide?
The IUPAC name of N-(3-cyclohexyloxypropyl)-2-[(3-oxo-4H-1,4-benzoxazin-7-yl)oxy]acetamide (CID 166266578) is N-(3-cyclohexyloxypropyl)-2-[(3-oxo-4H-1,4-benzoxazin-7-yl)oxy]acetamide.
What is the SMILES notation for N-(3-cyclohexyloxypropyl)-2-[(3-oxo-4H-1,4-benzoxazin-7-yl)oxy]acetamide?
The canonical SMILES for N-(3-cyclohexyloxypropyl)-2-[(3-oxo-4H-1,4-benzoxazin-7-yl)oxy]acetamide is O=C(COc1ccc2c(c1)OCC(=O)N2)NCCCOC1CCCCC1.
What is the InChIKey of N-(3-cyclohexyloxypropyl)-2-[(3-oxo-4H-1,4-benzoxazin-7-yl)oxy]acetamide?
The InChIKey is WABYGBTXELLCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O5/c22-18(20-9-4-10-24-14-5-2-1-3-6-14)12-25-15-7-8-16-17(11-15)26-13-19(23)21-16/h7-8,11,14H,1-6,9-10,12-13H2,(H,20,22)(H,21,23).
What are the key properties of N-(3-cyclohexyloxypropyl)-2-[(3-oxo-4H-1,4-benzoxazin-7-yl)oxy]acetamide?
N-(3-cyclohexyloxypropyl)-2-[(3-oxo-4H-1,4-benzoxazin-7-yl)oxy]acetamide has a molecular weight of 362.43 g/mol, XLogP of 2.25, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexyloxypropyl)-2-[(3-oxo-4H-1,4-benzoxazin-7-yl)oxy]acetamide is sourced from PubChem (CID 166266578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).