[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate

C17H18N2O6 — CID 7854029

IUPAC[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
SMILESCOc1ccccc1OCC(=O)OCC(=O)NC(=O)c1cccn1C
InChIInChI=1S/C17H18N2O6/c1-19-9-5-6-12(19)17(22)18-15(20)10-25-16(21)11-24-14-8-4-3-7-13(14)23-2/h3-9H,10-11H2,1-2H3,(H,18,20,22)
InChIKeyLYBAIQNHNHYAFM-UHFFFAOYSA-N
MW346.34 g/mol
LogP0.91
Rot. Bonds7

About [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate

[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate (PubChem CID 7854029) has the molecular formula C17H18N2O6 and a molecular weight of 346.34 g/mol. Its IUPAC name is [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate.

Molecular Properties

Compound Name[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
PubChem CID7854029
Molecular FormulaC17H18N2O6
Molecular Weight346.34 g/mol
Exact Mass346.12
IUPAC Name[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
SMILESCOc1ccccc1OCC(=O)OCC(=O)NC(=O)c1cccn1C
InChIInChI=1S/C17H18N2O6/c1-19-9-5-6-12(19)17(22)18-15(20)10-25-16(21)11-24-14-8-4-3-7-13(14)23-2/h3-9H,10-11H2,1-2H3,(H,18,20,22)
InChIKeyLYBAIQNHNHYAFM-UHFFFAOYSA-N
XLogP0.91
TPSA95.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
CID 39415072
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-benzamidoacetate
CID 7889613
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-(2-propoxyphenoxy)acetate
CID 7791148
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 3,5-dimethoxybenzoate
CID 2642944
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 7854604
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 4-(difluoromethoxy)-3-methoxybenzoate
CID 2473456
[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 55366842
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 3,4-dimethylbenzoate
CID 2647311
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate
CID 8918280
N-(2-amino-2-oxoethoxy)-1-methylpyrrole-2-carboxamide
CID 112550883
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 4-iodobenzoate
CID 2642847
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] (2S)-2-[(2-ethoxybenzoyl)amino]-3-methylbutanoate
CID 16564881

Frequently Asked Questions

What is the IUPAC name of [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate?
The IUPAC name of [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate (CID 7854029) is [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate.
What is the SMILES notation for [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate?
The canonical SMILES for [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate is COc1ccccc1OCC(=O)OCC(=O)NC(=O)c1cccn1C.
What is the InChIKey of [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate?
The InChIKey is LYBAIQNHNHYAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O6/c1-19-9-5-6-12(19)17(22)18-15(20)10-25-16(21)11-24-14-8-4-3-7-13(14)23-2/h3-9H,10-11H2,1-2H3,(H,18,20,22).
What are the key properties of [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate?
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate has a molecular weight of 346.34 g/mol, XLogP of 0.91, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate is sourced from PubChem (CID 7854029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).