(2-amino-2-oxoethyl) 4-(4-chlorophenyl)oxane-4-carboxylate

C14H16ClNO4 — CID 47396822

IUPAC(2-amino-2-oxoethyl) 4-(4-chlorophenyl)oxane-4-carboxylate
SMILESNC(=O)COC(=O)C1(c2ccc(Cl)cc2)CCOCC1
InChIInChI=1S/C14H16ClNO4/c15-11-3-1-10(2-4-11)14(5-7-19-8-6-14)13(18)20-9-12(16)17/h1-4H,5-9H2,(H2,16,17)
InChIKeyQYEBSIVSYKXJMV-UHFFFAOYSA-N
MW297.74 g/mol
LogP1.42
Rot. Bonds4

About (2-amino-2-oxoethyl) 4-(4-chlorophenyl)oxane-4-carboxylate

(2-amino-2-oxoethyl) 4-(4-chlorophenyl)oxane-4-carboxylate (PubChem CID 47396822) has the molecular formula C14H16ClNO4 and a molecular weight of 297.74 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) 4-(4-chlorophenyl)oxane-4-carboxylate.

Molecular Properties

Compound Name(2-amino-2-oxoethyl) 4-(4-chlorophenyl)oxane-4-carboxylate
PubChem CID47396822
Molecular FormulaC14H16ClNO4
Molecular Weight297.74 g/mol
Exact Mass297.08
IUPAC Name(2-amino-2-oxoethyl) 4-(4-chlorophenyl)oxane-4-carboxylate
SMILESNC(=O)COC(=O)C1(c2ccc(Cl)cc2)CCOCC1
InChIInChI=1S/C14H16ClNO4/c15-11-3-1-10(2-4-11)14(5-7-19-8-6-14)13(18)20-9-12(16)17/h1-4H,5-9H2,(H2,16,17)
InChIKeyQYEBSIVSYKXJMV-UHFFFAOYSA-N
XLogP1.42
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-amino-2-oxoethyl) 1-(3-chlorophenyl)cyclopropane-1-carboxylate
CID 51088811
ethyl 1-(4-chlorophenyl)cyclopropane-1-carboxylate
CID 14774392
(Z)-[amino-[4-(4-chlorophenyl)oxan-4-yl]methylidene]-propanoyloxyazanium
CID 145481559
[2-oxo-2-(pentan-2-ylamino)ethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 16528438
phenacyl 1-(4-chlorophenyl)cyclobutane-1-carboxylate
CID 55312475
ethyl 4-(4-dimethoxyboranylphenyl)oxane-4-carboxylate
CID 123430016
[2-(ethylamino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 2566919
ethyl 4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]oxane-4-carboxylate
CID 58538522
[2-oxo-2-(prop-2-ynylamino)ethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate
CID 8642302
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate
CID 8589546
[2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate
CID 8589291
[2-(methylcarbamoylamino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 2566951

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl) 4-(4-chlorophenyl)oxane-4-carboxylate?
The IUPAC name of (2-amino-2-oxoethyl) 4-(4-chlorophenyl)oxane-4-carboxylate (CID 47396822) is (2-amino-2-oxoethyl) 4-(4-chlorophenyl)oxane-4-carboxylate.
What is the SMILES notation for (2-amino-2-oxoethyl) 4-(4-chlorophenyl)oxane-4-carboxylate?
The canonical SMILES for (2-amino-2-oxoethyl) 4-(4-chlorophenyl)oxane-4-carboxylate is NC(=O)COC(=O)C1(c2ccc(Cl)cc2)CCOCC1.
What is the InChIKey of (2-amino-2-oxoethyl) 4-(4-chlorophenyl)oxane-4-carboxylate?
The InChIKey is QYEBSIVSYKXJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO4/c15-11-3-1-10(2-4-11)14(5-7-19-8-6-14)13(18)20-9-12(16)17/h1-4H,5-9H2,(H2,16,17).
What are the key properties of (2-amino-2-oxoethyl) 4-(4-chlorophenyl)oxane-4-carboxylate?
(2-amino-2-oxoethyl) 4-(4-chlorophenyl)oxane-4-carboxylate has a molecular weight of 297.74 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl) 4-(4-chlorophenyl)oxane-4-carboxylate is sourced from PubChem (CID 47396822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).