2-methylpropyl 2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]phenoxy]acetate

C19H27NO6 — CID 67248288

IUPAC2-methylpropyl 2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]phenoxy]acetate
SMILESCC(C)COC(=O)COc1ccc(C(=O)CNC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C19H27NO6/c1-13(2)11-25-17(22)12-24-15-8-6-14(7-9-15)16(21)10-20-18(23)26-19(3,4)5/h6-9,13H,10-12H2,1-5H3,(H,20,23)
InChIKeyQBHDKHRVFIKICG-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.97
Rot. Bonds8

About 2-methylpropyl 2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]phenoxy]acetate

2-methylpropyl 2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]phenoxy]acetate (PubChem CID 67248288) has the molecular formula C19H27NO6 and a molecular weight of 365.43 g/mol. Its IUPAC name is 2-methylpropyl 2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]phenoxy]acetate.

Molecular Properties

Compound Name2-methylpropyl 2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]phenoxy]acetate
PubChem CID67248288
Molecular FormulaC19H27NO6
Molecular Weight365.43 g/mol
Exact Mass365.18
IUPAC Name2-methylpropyl 2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]phenoxy]acetate
SMILESCC(C)COC(=O)COc1ccc(C(=O)CNC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C19H27NO6/c1-13(2)11-25-17(22)12-24-15-8-6-14(7-9-15)16(21)10-20-18(23)26-19(3,4)5/h6-9,13H,10-12H2,1-5H3,(H,20,23)
InChIKeyQBHDKHRVFIKICG-UHFFFAOYSA-N
XLogP2.97
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methylpropyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 58333495
ethyl 2-[3-hydroxy-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]phenoxy]acetate
CID 67247207
4-[(Z)-3-fluoro-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]prop-2-enoxy]benzoic acid
CID 146417752
4-[(E)-3-fluoro-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]prop-2-enoxy]benzoic acid
CID 153384791
ethyl 2-[4-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]phenoxy]acetate
CID 54020369
2-[2-(carboxymethoxy)-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]phenoxy]acetic acid
CID 67246765
tert-butyl N-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]carbamate
CID 16740549
methyl 2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenoxy]acetate
CID 59456133
tert-butyl N-[[4-(2-amino-2-oxoethoxy)phenyl]methyl]carbamate
CID 54547080
3-methylbutyl 2-(4-propanoylphenoxy)acetate
CID 86914486
methyl 2-[4-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]phenoxy]acetate
CID 91382246
tert-butyl N-[2-[6-(dimethylamino)-3-pyridinyl]-2-oxoethyl]carbamate
CID 54302318

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]phenoxy]acetate?
The IUPAC name of 2-methylpropyl 2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]phenoxy]acetate (CID 67248288) is 2-methylpropyl 2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]phenoxy]acetate.
What is the SMILES notation for 2-methylpropyl 2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]phenoxy]acetate?
The canonical SMILES for 2-methylpropyl 2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]phenoxy]acetate is CC(C)COC(=O)COc1ccc(C(=O)CNC(=O)OC(C)(C)C)cc1.
What is the InChIKey of 2-methylpropyl 2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]phenoxy]acetate?
The InChIKey is QBHDKHRVFIKICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO6/c1-13(2)11-25-17(22)12-24-15-8-6-14(7-9-15)16(21)10-20-18(23)26-19(3,4)5/h6-9,13H,10-12H2,1-5H3,(H,20,23).
What are the key properties of 2-methylpropyl 2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]phenoxy]acetate?
2-methylpropyl 2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]phenoxy]acetate has a molecular weight of 365.43 g/mol, XLogP of 2.97, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]phenoxy]acetate is sourced from PubChem (CID 67248288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).