N-cyclohexyl-N-methyl-4-[(3-oxo-4H-1,4-benzoxazin-7-yl)oxy]butanamide

C19H26N2O4 — CID 13195776

IUPACN-cyclohexyl-N-methyl-4-[(3-oxo-4H-1,4-benzoxazin-7-yl)oxy]butanamide
SMILESCN(C(=O)CCCOc1ccc2c(c1)OCC(=O)N2)C1CCCCC1
InChIInChI=1S/C19H26N2O4/c1-21(14-6-3-2-4-7-14)19(23)8-5-11-24-15-9-10-16-17(12-15)25-13-18(22)20-16/h9-10,12,14H,2-8,11,13H2,1H3,(H,20,22)
InChIKeyOMDHYWFGEYGPCC-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.97
Rot. Bonds6

About N-cyclohexyl-N-methyl-4-[(3-oxo-4H-1,4-benzoxazin-7-yl)oxy]butanamide

N-cyclohexyl-N-methyl-4-[(3-oxo-4H-1,4-benzoxazin-7-yl)oxy]butanamide (PubChem CID 13195776) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-4-[(3-oxo-4H-1,4-benzoxazin-7-yl)oxy]butanamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-4-[(3-oxo-4H-1,4-benzoxazin-7-yl)oxy]butanamide
PubChem CID13195776
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC NameN-cyclohexyl-N-methyl-4-[(3-oxo-4H-1,4-benzoxazin-7-yl)oxy]butanamide
SMILESCN(C(=O)CCCOc1ccc2c(c1)OCC(=O)N2)C1CCCCC1
InChIInChI=1S/C19H26N2O4/c1-21(14-6-3-2-4-7-14)19(23)8-5-11-24-15-9-10-16-17(12-15)25-13-18(22)20-16/h9-10,12,14H,2-8,11,13H2,1H3,(H,20,22)
InChIKeyOMDHYWFGEYGPCC-UHFFFAOYSA-N
XLogP2.97
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-4-[(3-oxo-4H-1,4-benzoxazin-7-yl)oxy]butanamide?
The IUPAC name of N-cyclohexyl-N-methyl-4-[(3-oxo-4H-1,4-benzoxazin-7-yl)oxy]butanamide (CID 13195776) is N-cyclohexyl-N-methyl-4-[(3-oxo-4H-1,4-benzoxazin-7-yl)oxy]butanamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-4-[(3-oxo-4H-1,4-benzoxazin-7-yl)oxy]butanamide?
The canonical SMILES for N-cyclohexyl-N-methyl-4-[(3-oxo-4H-1,4-benzoxazin-7-yl)oxy]butanamide is CN(C(=O)CCCOc1ccc2c(c1)OCC(=O)N2)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-methyl-4-[(3-oxo-4H-1,4-benzoxazin-7-yl)oxy]butanamide?
The InChIKey is OMDHYWFGEYGPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-21(14-6-3-2-4-7-14)19(23)8-5-11-24-15-9-10-16-17(12-15)25-13-18(22)20-16/h9-10,12,14H,2-8,11,13H2,1H3,(H,20,22).
What are the key properties of N-cyclohexyl-N-methyl-4-[(3-oxo-4H-1,4-benzoxazin-7-yl)oxy]butanamide?
N-cyclohexyl-N-methyl-4-[(3-oxo-4H-1,4-benzoxazin-7-yl)oxy]butanamide has a molecular weight of 346.43 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-4-[(3-oxo-4H-1,4-benzoxazin-7-yl)oxy]butanamide is sourced from PubChem (CID 13195776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).