methyl 4-[2-(1-methoxypropan-2-ylamino)-2-oxoethoxy]benzoate

C14H19NO5 — CID 51139849

IUPACmethyl 4-[2-(1-methoxypropan-2-ylamino)-2-oxoethoxy]benzoate
SMILESCOCC(C)NC(=O)COc1ccc(C(=O)OC)cc1
InChIInChI=1S/C14H19NO5/c1-10(8-18-2)15-13(16)9-20-12-6-4-11(5-7-12)14(17)19-3/h4-7,10H,8-9H2,1-3H3,(H,15,16)
InChIKeyNXQAKOJBOFXMON-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.00
Rot. Bonds7

About methyl 4-[2-(1-methoxypropan-2-ylamino)-2-oxoethoxy]benzoate

methyl 4-[2-(1-methoxypropan-2-ylamino)-2-oxoethoxy]benzoate (PubChem CID 51139849) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is methyl 4-[2-(1-methoxypropan-2-ylamino)-2-oxoethoxy]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-(1-methoxypropan-2-ylamino)-2-oxoethoxy]benzoate
PubChem CID51139849
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Namemethyl 4-[2-(1-methoxypropan-2-ylamino)-2-oxoethoxy]benzoate
SMILESCOCC(C)NC(=O)COc1ccc(C(=O)OC)cc1
InChIInChI=1S/C14H19NO5/c1-10(8-18-2)15-13(16)9-20-12-6-4-11(5-7-12)14(17)19-3/h4-7,10H,8-9H2,1-3H3,(H,15,16)
InChIKeyNXQAKOJBOFXMON-UHFFFAOYSA-N
XLogP1.00
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-acetylphenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 51140295
methyl 4-[2-[[(2S)-5-methylhexan-2-yl]amino]-2-oxoethoxy]benzoate
CID 9019633
2-(4-bromophenoxy)-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 7028135
2-[4-(4-fluorobenzoyl)phenoxy]-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 7795155
N-(1-methoxypropan-2-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 84603980
N-(1-methoxypropan-2-yl)-2-[4-(2-oxopropyl)phenoxy]acetamide
CID 115495334
methyl 4-[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethoxy]benzoate
CID 34140038
N-(1-methoxypropan-2-yl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 43888448
2-(3-methoxyphenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 78760764
methyl 4-[(2S)-2-(methylamino)propoxy]benzoate
CID 67404569
methyl 4-[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethoxy]benzoate
CID 7667328
methyl 4-[2-[[(1S)-1-(2-bromophenyl)ethyl]amino]-2-oxoethoxy]benzoate
CID 7965082

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(1-methoxypropan-2-ylamino)-2-oxoethoxy]benzoate?
The IUPAC name of methyl 4-[2-(1-methoxypropan-2-ylamino)-2-oxoethoxy]benzoate (CID 51139849) is methyl 4-[2-(1-methoxypropan-2-ylamino)-2-oxoethoxy]benzoate.
What is the SMILES notation for methyl 4-[2-(1-methoxypropan-2-ylamino)-2-oxoethoxy]benzoate?
The canonical SMILES for methyl 4-[2-(1-methoxypropan-2-ylamino)-2-oxoethoxy]benzoate is COCC(C)NC(=O)COc1ccc(C(=O)OC)cc1.
What is the InChIKey of methyl 4-[2-(1-methoxypropan-2-ylamino)-2-oxoethoxy]benzoate?
The InChIKey is NXQAKOJBOFXMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-10(8-18-2)15-13(16)9-20-12-6-4-11(5-7-12)14(17)19-3/h4-7,10H,8-9H2,1-3H3,(H,15,16).
What are the key properties of methyl 4-[2-(1-methoxypropan-2-ylamino)-2-oxoethoxy]benzoate?
methyl 4-[2-(1-methoxypropan-2-ylamino)-2-oxoethoxy]benzoate has a molecular weight of 281.31 g/mol, XLogP of 1.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(1-methoxypropan-2-ylamino)-2-oxoethoxy]benzoate is sourced from PubChem (CID 51139849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).