ethyl 2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]benzo[e][1,2]benzoxazol-1-yl]acetate

C20H22N2O5 — CID 175625434

IUPACethyl 2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]benzo[e][1,2]benzoxazol-1-yl]acetate
SMILESCCOC(=O)Cc1noc2ccc3c(NC(=O)OC(C)(C)C)cccc3c12
InChIInChI=1S/C20H22N2O5/c1-5-25-17(23)11-15-18-13-7-6-8-14(21-19(24)26-20(2,3)4)12(13)9-10-16(18)27-22-15/h6-10H,5,11H2,1-4H3,(H,21,24)
InChIKeyDINBJAIIMDAGSV-UHFFFAOYSA-N
MW370.41 g/mol
LogP4.43
Rot. Bonds4

About ethyl 2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]benzo[e][1,2]benzoxazol-1-yl]acetate

ethyl 2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]benzo[e][1,2]benzoxazol-1-yl]acetate (PubChem CID 175625434) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is ethyl 2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]benzo[e][1,2]benzoxazol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]benzo[e][1,2]benzoxazol-1-yl]acetate
PubChem CID175625434
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Nameethyl 2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]benzo[e][1,2]benzoxazol-1-yl]acetate
SMILESCCOC(=O)Cc1noc2ccc3c(NC(=O)OC(C)(C)C)cccc3c12
InChIInChI=1S/C20H22N2O5/c1-5-25-17(23)11-15-18-13-7-6-8-14(21-19(24)26-20(2,3)4)12(13)9-10-16(18)27-22-15/h6-10H,5,11H2,1-4H3,(H,21,24)
InChIKeyDINBJAIIMDAGSV-UHFFFAOYSA-N
XLogP4.43
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-(5-ethyl-4-hydroxy-1,2-benzoxazol-3-yl)acetate
CID 167001401
ethyl 2-(7-fluorobenzo[e][1,2]benzoxazol-1-yl)acetate
CID 164736922
ethyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]thiophen-3-yl]acetate
CID 25113890
ethane;ethyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylmethoxyphenyl]acetate
CID 156725209
ethyl 2-[2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]naphthalen-1-yl]oxyethoxy]acetate
CID 169273604
ethyl 2-[7-(2-methoxyethoxy)benzo[e][1,2]benzoxazol-1-yl]acetate
CID 167001179
ethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]acetate
CID 174765561
N,N-diethylethanamine;5-[(2-methylpropan-2-yl)oxycarbonylamino]naphthalene-1-sulfonic acid
CID 11441667
ethyl 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]but-3-ynoate
CID 134943764
tert-butyl N-(2-methyl-3-sulfamoylphenyl)carbamate
CID 65142606
tert-butyl N-[5-(methylsulfamoyl)naphthalen-1-yl]carbamate
CID 11739198
tert-butyl N-[3-[2-(dimethylamino)-2-oxoethyl]-2-methoxyphenyl]carbamate
CID 167266134

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]benzo[e][1,2]benzoxazol-1-yl]acetate?
The IUPAC name of ethyl 2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]benzo[e][1,2]benzoxazol-1-yl]acetate (CID 175625434) is ethyl 2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]benzo[e][1,2]benzoxazol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]benzo[e][1,2]benzoxazol-1-yl]acetate?
The canonical SMILES for ethyl 2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]benzo[e][1,2]benzoxazol-1-yl]acetate is CCOC(=O)Cc1noc2ccc3c(NC(=O)OC(C)(C)C)cccc3c12.
What is the InChIKey of ethyl 2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]benzo[e][1,2]benzoxazol-1-yl]acetate?
The InChIKey is DINBJAIIMDAGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-5-25-17(23)11-15-18-13-7-6-8-14(21-19(24)26-20(2,3)4)12(13)9-10-16(18)27-22-15/h6-10H,5,11H2,1-4H3,(H,21,24).
What are the key properties of ethyl 2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]benzo[e][1,2]benzoxazol-1-yl]acetate?
ethyl 2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]benzo[e][1,2]benzoxazol-1-yl]acetate has a molecular weight of 370.41 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]benzo[e][1,2]benzoxazol-1-yl]acetate is sourced from PubChem (CID 175625434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).