methyl 2-ethoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate

C15H21NO5 — CID 166872941

IUPACmethyl 2-ethoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
SMILESCCOc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)OC
InChIInChI=1S/C15H21NO5/c1-6-20-12-8-7-10(9-11(12)13(17)19-5)16-14(18)21-15(2,3)4/h7-9H,6H2,1-5H3,(H,16,18)
InChIKeyUQQCXPNCYKVEOU-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.22
Rot. Bonds4

About methyl 2-ethoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate

methyl 2-ethoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate (PubChem CID 166872941) has the molecular formula C15H21NO5 and a molecular weight of 295.34 g/mol. Its IUPAC name is methyl 2-ethoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate.

Molecular Properties

Compound Namemethyl 2-ethoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
PubChem CID166872941
Molecular FormulaC15H21NO5
Molecular Weight295.34 g/mol
Exact Mass295.14
IUPAC Namemethyl 2-ethoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
SMILESCCOc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)OC
InChIInChI=1S/C15H21NO5/c1-6-20-12-8-7-10(9-11(12)13(17)19-5)16-14(18)21-15(2,3)4/h7-9H,6H2,1-5H3,(H,16,18)
InChIKeyUQQCXPNCYKVEOU-UHFFFAOYSA-N
XLogP3.22
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-ethoxy-5-[(2,2,2-trifluoroacetyl)amino]benzoate
CID 100750375
tert-butyl N-[3-(aminomethyl)-4-ethoxyphenyl]carbamate
CID 63755474
tert-butyl N-[3-(chloromethyl)-4-ethoxyphenyl]carbamate
CID 114302920
methyl 2-iodo-4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 121396611
methyl 2-ethoxy-5-[[(2R)-2-ethoxy-2-methylhexanoyl]amino]benzoate
CID 100760661
(2,5-dioxopyrrolidin-1-yl) 2-ethoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 167361364
5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-propanoyloxybenzoic acid
CID 22341898
tert-butyl N-(3-ethoxyphenyl)carbamate
CID 17098158
5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-triethylsilyloxybenzoic acid
CID 90152282
methyl N-(4-ethoxy-3-fluorophenyl)carbamate
CID 110777389
methyl 2-ethoxy-5-[(1-ethoxycyclopentanecarbonyl)amino]benzoate
CID 100761596
methyl 2-ethoxy-5-[(1-ethoxycycloheptanecarbonyl)amino]benzoate
CID 100762098

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate?
The IUPAC name of methyl 2-ethoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate (CID 166872941) is methyl 2-ethoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate.
What is the SMILES notation for methyl 2-ethoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate?
The canonical SMILES for methyl 2-ethoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate is CCOc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)OC.
What is the InChIKey of methyl 2-ethoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate?
The InChIKey is UQQCXPNCYKVEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5/c1-6-20-12-8-7-10(9-11(12)13(17)19-5)16-14(18)21-15(2,3)4/h7-9H,6H2,1-5H3,(H,16,18).
What are the key properties of methyl 2-ethoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate?
methyl 2-ethoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate has a molecular weight of 295.34 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate is sourced from PubChem (CID 166872941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).