methyl 2-(oxane-3-carbonylamino)benzoate

C14H17NO4 — CID 55109995

IUPACmethyl 2-(oxane-3-carbonylamino)benzoate
SMILESCOC(=O)c1ccccc1NC(=O)C1CCCOC1
InChIInChI=1S/C14H17NO4/c1-18-14(17)11-6-2-3-7-12(11)15-13(16)10-5-4-8-19-9-10/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,15,16)
InChIKeyIWJWLYRYFUGJCX-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.84
Rot. Bonds3

About methyl 2-(oxane-3-carbonylamino)benzoate

methyl 2-(oxane-3-carbonylamino)benzoate (PubChem CID 55109995) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is methyl 2-(oxane-3-carbonylamino)benzoate.

Molecular Properties

Compound Namemethyl 2-(oxane-3-carbonylamino)benzoate
PubChem CID55109995
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Namemethyl 2-(oxane-3-carbonylamino)benzoate
SMILESCOC(=O)c1ccccc1NC(=O)C1CCCOC1
InChIInChI=1S/C14H17NO4/c1-18-14(17)11-6-2-3-7-12(11)15-13(16)10-5-4-8-19-9-10/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,15,16)
InChIKeyIWJWLYRYFUGJCX-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(N'-hydroxycarbamimidoyl)phenyl]oxane-3-carboxamide
CID 76982116
N-(2-aminophenyl)oxane-3-carboxamide;hydrochloride
CID 119422429
methyl 5-methyl-2-(oxolane-3-carbonylamino)benzoate
CID 61278907
methyl 2-[2-(oxan-3-yl)ethylamino]benzoate
CID 118058964
methyl 2-[[1-(oxane-4-carbonyl)piperidine-4-carbonyl]amino]benzoate
CID 113007963
5-methyl-2-(oxane-3-carbonylamino)benzoic acid
CID 62761030
ethyl 2-(oxane-4-carbonylamino)benzoate
CID 30790941
methyl 2-[4-(cyclohexanecarbonylamino)anilino]benzoate
CID 112988416
methyl 2-[(2-aminocyclohexanecarbonyl)amino]benzoate
CID 64822923
methyl 2-[[4-(diethylcarbamoyl)cyclohexanecarbonyl]amino]benzoate
CID 109149471
N-[2-[1-(propylamino)ethyl]phenyl]oxane-3-carboxamide
CID 63010645
methyl 2-[[(3S)-1-benzylpiperidine-3-carbonyl]amino]benzoate
CID 93490753

Frequently Asked Questions

What is the IUPAC name of methyl 2-(oxane-3-carbonylamino)benzoate?
The IUPAC name of methyl 2-(oxane-3-carbonylamino)benzoate (CID 55109995) is methyl 2-(oxane-3-carbonylamino)benzoate.
What is the SMILES notation for methyl 2-(oxane-3-carbonylamino)benzoate?
The canonical SMILES for methyl 2-(oxane-3-carbonylamino)benzoate is COC(=O)c1ccccc1NC(=O)C1CCCOC1.
What is the InChIKey of methyl 2-(oxane-3-carbonylamino)benzoate?
The InChIKey is IWJWLYRYFUGJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-18-14(17)11-6-2-3-7-12(11)15-13(16)10-5-4-8-19-9-10/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,15,16).
What are the key properties of methyl 2-(oxane-3-carbonylamino)benzoate?
methyl 2-(oxane-3-carbonylamino)benzoate has a molecular weight of 263.29 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(oxane-3-carbonylamino)benzoate is sourced from PubChem (CID 55109995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).