(4-benzamidooxan-4-yl) acetate

C14H17NO4 — CID 69498261

IUPAC(4-benzamidooxan-4-yl) acetate
SMILESCC(=O)OC1(NC(=O)c2ccccc2)CCOCC1
InChIInChI=1S/C14H17NO4/c1-11(16)19-14(7-9-18-10-8-14)15-13(17)12-5-3-2-4-6-12/h2-6H,7-10H2,1H3,(H,15,17)
InChIKeyHUPXCJDXISYYEI-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.49
Rot. Bonds3

About (4-benzamidooxan-4-yl) acetate

(4-benzamidooxan-4-yl) acetate (PubChem CID 69498261) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is (4-benzamidooxan-4-yl) acetate.

Molecular Properties

Compound Name(4-benzamidooxan-4-yl) acetate
PubChem CID69498261
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name(4-benzamidooxan-4-yl) acetate
SMILESCC(=O)OC1(NC(=O)c2ccccc2)CCOCC1
InChIInChI=1S/C14H17NO4/c1-11(16)19-14(7-9-18-10-8-14)15-13(17)12-5-3-2-4-6-12/h2-6H,7-10H2,1H3,(H,15,17)
InChIKeyHUPXCJDXISYYEI-UHFFFAOYSA-N
XLogP1.49
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-benzamidooxane-2-carboxylic acid
CID 141498515
methyl 4-[[4-(2-phenylethynyl)benzoyl]amino]oxane-4-carboxylate
CID 71580697
N-(9-acetyl-3-oxa-9-azaspiro[5.5]undecan-5-yl)benzamide
CID 131662078
N-(4-phenyloxan-4-yl)furan-3-carboxamide
CID 110466381
N-(4-methyloxan-4-yl)-4-sulfanylbenzamide
CID 107035610
(1-phenylcyclopropyl) acetate
CID 121216912
benzamido acetate;ethane
CID 91379738
4-[(4-hydroxybenzoyl)amino]oxane-4-carboxylic acid
CID 115291748
2-hydroxy-N-(4-methyloxan-4-yl)benzamide
CID 113324402
N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]benzamide
CID 112503014
4-[(2-iodobenzoyl)amino]oxane-4-carboxylic acid
CID 115291425
N-(7-methyl-2,5,9,12-tetraoxabicyclo[11.4.0]heptadeca-1(17),13,15-trien-7-yl)benzamide
CID 15163010

Frequently Asked Questions

What is the IUPAC name of (4-benzamidooxan-4-yl) acetate?
The IUPAC name of (4-benzamidooxan-4-yl) acetate (CID 69498261) is (4-benzamidooxan-4-yl) acetate.
What is the SMILES notation for (4-benzamidooxan-4-yl) acetate?
The canonical SMILES for (4-benzamidooxan-4-yl) acetate is CC(=O)OC1(NC(=O)c2ccccc2)CCOCC1.
What is the InChIKey of (4-benzamidooxan-4-yl) acetate?
The InChIKey is HUPXCJDXISYYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-11(16)19-14(7-9-18-10-8-14)15-13(17)12-5-3-2-4-6-12/h2-6H,7-10H2,1H3,(H,15,17).
What are the key properties of (4-benzamidooxan-4-yl) acetate?
(4-benzamidooxan-4-yl) acetate has a molecular weight of 263.29 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzamidooxan-4-yl) acetate is sourced from PubChem (CID 69498261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).