ethyl 2-[2-(4-ethoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]acetate

C19H29NO6 — CID 123923454

IUPACethyl 2-[2-(4-ethoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]acetate
SMILESCCOC(=O)COCC(NC(=O)OC(C)(C)C)c1ccc(OCC)cc1
InChIInChI=1S/C19H29NO6/c1-6-24-15-10-8-14(9-11-15)16(12-23-13-17(21)25-7-2)20-18(22)26-19(3,4)5/h8-11,16H,6-7,12-13H2,1-5H3,(H,20,22)
InChIKeyQMDRWADZXMQZDA-UHFFFAOYSA-N
MW367.44 g/mol
LogP3.23
Rot. Bonds9

About ethyl 2-[2-(4-ethoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]acetate

ethyl 2-[2-(4-ethoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]acetate (PubChem CID 123923454) has the molecular formula C19H29NO6 and a molecular weight of 367.44 g/mol. Its IUPAC name is ethyl 2-[2-(4-ethoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(4-ethoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]acetate
PubChem CID123923454
Molecular FormulaC19H29NO6
Molecular Weight367.44 g/mol
Exact Mass367.20
IUPAC Nameethyl 2-[2-(4-ethoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]acetate
SMILESCCOC(=O)COCC(NC(=O)OC(C)(C)C)c1ccc(OCC)cc1
InChIInChI=1S/C19H29NO6/c1-6-24-15-10-8-14(9-11-15)16(12-23-13-17(21)25-7-2)20-18(22)26-19(3,4)5/h8-11,16H,6-7,12-13H2,1-5H3,(H,20,22)
InChIKeyQMDRWADZXMQZDA-UHFFFAOYSA-N
XLogP3.23
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.44
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[2-(4-ethynylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]acetate
CID 170438795
(3R)-3-(4-ethoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 7062318
(3S)-3-(4-ethoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 7022531
tert-butyl N-[(1S)-2-ethoxy-1-phenylethyl]carbamate
CID 141256411
methyl 2-[2-(4-ethynylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]acetate
CID 170612897
ethyl (3S)-3-(4-hydroxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 86587223
ethyl 3-(4-aminophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 18614834
ethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-methylsulfonyloxyphenyl)propanoate
CID 87297630
ethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutanoate
CID 121415297
ethyl 2-ethoxy-3-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylethoxy]phenyl]propanoate
CID 78023498
ethyl (5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxo-5-phenylpentanoate
CID 91612546
[2-[4-(2-methylpentoxy)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl] acetate
CID 67086159

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(4-ethoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]acetate?
The IUPAC name of ethyl 2-[2-(4-ethoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]acetate (CID 123923454) is ethyl 2-[2-(4-ethoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]acetate.
What is the SMILES notation for ethyl 2-[2-(4-ethoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]acetate?
The canonical SMILES for ethyl 2-[2-(4-ethoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]acetate is CCOC(=O)COCC(NC(=O)OC(C)(C)C)c1ccc(OCC)cc1.
What is the InChIKey of ethyl 2-[2-(4-ethoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]acetate?
The InChIKey is QMDRWADZXMQZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO6/c1-6-24-15-10-8-14(9-11-15)16(12-23-13-17(21)25-7-2)20-18(22)26-19(3,4)5/h8-11,16H,6-7,12-13H2,1-5H3,(H,20,22).
What are the key properties of ethyl 2-[2-(4-ethoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]acetate?
ethyl 2-[2-(4-ethoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]acetate has a molecular weight of 367.44 g/mol, XLogP of 3.23, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(4-ethoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]acetate is sourced from PubChem (CID 123923454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).