methyl 3-[2-(oxolan-2-yl)ethylcarbamoyl]benzoate

C15H19NO4 — CID 51086480

IUPACmethyl 3-[2-(oxolan-2-yl)ethylcarbamoyl]benzoate
SMILESCOC(=O)c1cccc(C(=O)NCCC2CCCO2)c1
InChIInChI=1S/C15H19NO4/c1-19-15(18)12-5-2-4-11(10-12)14(17)16-8-7-13-6-3-9-20-13/h2,4-5,10,13H,3,6-9H2,1H3,(H,16,17)
InChIKeyRQGAFLGAZGCELX-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.77
Rot. Bonds5

About methyl 3-[2-(oxolan-2-yl)ethylcarbamoyl]benzoate

methyl 3-[2-(oxolan-2-yl)ethylcarbamoyl]benzoate (PubChem CID 51086480) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is methyl 3-[2-(oxolan-2-yl)ethylcarbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[2-(oxolan-2-yl)ethylcarbamoyl]benzoate
PubChem CID51086480
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Namemethyl 3-[2-(oxolan-2-yl)ethylcarbamoyl]benzoate
SMILESCOC(=O)c1cccc(C(=O)NCCC2CCCO2)c1
InChIInChI=1S/C15H19NO4/c1-19-15(18)12-5-2-4-11(10-12)14(17)16-8-7-13-6-3-9-20-13/h2,4-5,10,13H,3,6-9H2,1H3,(H,16,17)
InChIKeyRQGAFLGAZGCELX-UHFFFAOYSA-N
XLogP1.77
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 54915842
3-(dimethylamino)-N-[2-[(2R)-oxolan-2-yl]ethyl]benzamide
CID 94022695
3-acetamido-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 110745062
3-iodo-N-[2-(oxan-2-yl)ethyl]benzamide
CID 103993198
3-amino-4-methyl-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 54915859
3-methyl-4-(methylamino)-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 55164039
methyl 3-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]carbamoyl]benzoate
CID 41442893
3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 669434
3-methoxy-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 134000631
3-N-cyclopropyl-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109050678
methyl N-[2-(oxolan-2-yl)ethyl]carbamate
CID 110731266
N-(2-acetamidoethyl)-3-(oxolan-2-ylmethoxy)benzamide
CID 134057513

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(oxolan-2-yl)ethylcarbamoyl]benzoate?
The IUPAC name of methyl 3-[2-(oxolan-2-yl)ethylcarbamoyl]benzoate (CID 51086480) is methyl 3-[2-(oxolan-2-yl)ethylcarbamoyl]benzoate.
What is the SMILES notation for methyl 3-[2-(oxolan-2-yl)ethylcarbamoyl]benzoate?
The canonical SMILES for methyl 3-[2-(oxolan-2-yl)ethylcarbamoyl]benzoate is COC(=O)c1cccc(C(=O)NCCC2CCCO2)c1.
What is the InChIKey of methyl 3-[2-(oxolan-2-yl)ethylcarbamoyl]benzoate?
The InChIKey is RQGAFLGAZGCELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-19-15(18)12-5-2-4-11(10-12)14(17)16-8-7-13-6-3-9-20-13/h2,4-5,10,13H,3,6-9H2,1H3,(H,16,17).
What are the key properties of methyl 3-[2-(oxolan-2-yl)ethylcarbamoyl]benzoate?
methyl 3-[2-(oxolan-2-yl)ethylcarbamoyl]benzoate has a molecular weight of 277.32 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(oxolan-2-yl)ethylcarbamoyl]benzoate is sourced from PubChem (CID 51086480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).