methyl 5-[2-[2-[(2-methoxybenzoyl)amino]acetyl]oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

C20H22N2O7 — CID 30029794

IUPACmethyl 5-[2-[2-[(2-methoxybenzoyl)amino]acetyl]oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
SMILESCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)CNC(=O)c2ccccc2OC)c1C
InChIInChI=1S/C20H22N2O7/c1-11-17(20(26)28-4)12(2)22-18(11)14(23)10-29-16(24)9-21-19(25)13-7-5-6-8-15(13)27-3/h5-8,22H,9-10H2,1-4H3,(H,21,25)
InChIKeyYFXQFUGIPAHERT-UHFFFAOYSA-N
MW402.40 g/mol
LogP1.58
Rot. Bonds8

About methyl 5-[2-[2-[(2-methoxybenzoyl)amino]acetyl]oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

methyl 5-[2-[2-[(2-methoxybenzoyl)amino]acetyl]oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate (PubChem CID 30029794) has the molecular formula C20H22N2O7 and a molecular weight of 402.40 g/mol. Its IUPAC name is methyl 5-[2-[2-[(2-methoxybenzoyl)amino]acetyl]oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[2-[2-[(2-methoxybenzoyl)amino]acetyl]oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
PubChem CID30029794
Molecular FormulaC20H22N2O7
Molecular Weight402.40 g/mol
Exact Mass402.14
IUPAC Namemethyl 5-[2-[2-[(2-methoxybenzoyl)amino]acetyl]oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
SMILESCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)CNC(=O)c2ccccc2OC)c1C
InChIInChI=1S/C20H22N2O7/c1-11-17(20(26)28-4)12(2)22-18(11)14(23)10-29-16(24)9-21-19(25)13-7-5-6-8-15(13)27-3/h5-8,22H,9-10H2,1-4H3,(H,21,25)
InChIKeyYFXQFUGIPAHERT-UHFFFAOYSA-N
XLogP1.58
TPSA123.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.40
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 5-[2-(2-benzamidoacetyl)oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 55318842
methyl 2,4-dimethyl-5-[2-[3-(2-methylphenoxy)propanoyloxy]acetyl]-1H-pyrrole-3-carboxylate
CID 30026362
[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate
CID 7629034
2-O-ethyl 4-O-[2-(2-methoxyphenyl)-2-oxoethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 16501844
[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate
CID 7881895
[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-[(2-methoxybenzoyl)amino]acetate
CID 29461980
ethyl 4-[2-[2-[(3-methoxybenzoyl)amino]acetyl]oxyacetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 41448128
[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 3-(2-methoxyphenoxy)propanoate
CID 2429297
[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate
CID 8573312
[2-(2-methoxyphenyl)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate
CID 9364189
ethyl 5-[2-[2-(2-ethylphenoxy)acetyl]oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 5158622
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807725

Frequently Asked Questions

What is the IUPAC name of methyl 5-[2-[2-[(2-methoxybenzoyl)amino]acetyl]oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The IUPAC name of methyl 5-[2-[2-[(2-methoxybenzoyl)amino]acetyl]oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate (CID 30029794) is methyl 5-[2-[2-[(2-methoxybenzoyl)amino]acetyl]oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate.
What is the SMILES notation for methyl 5-[2-[2-[(2-methoxybenzoyl)amino]acetyl]oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The canonical SMILES for methyl 5-[2-[2-[(2-methoxybenzoyl)amino]acetyl]oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate is COC(=O)c1c(C)[nH]c(C(=O)COC(=O)CNC(=O)c2ccccc2OC)c1C.
What is the InChIKey of methyl 5-[2-[2-[(2-methoxybenzoyl)amino]acetyl]oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The InChIKey is YFXQFUGIPAHERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O7/c1-11-17(20(26)28-4)12(2)22-18(11)14(23)10-29-16(24)9-21-19(25)13-7-5-6-8-15(13)27-3/h5-8,22H,9-10H2,1-4H3,(H,21,25).
What are the key properties of methyl 5-[2-[2-[(2-methoxybenzoyl)amino]acetyl]oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?
methyl 5-[2-[2-[(2-methoxybenzoyl)amino]acetyl]oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate has a molecular weight of 402.40 g/mol, XLogP of 1.58, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[2-[2-[(2-methoxybenzoyl)amino]acetyl]oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 30029794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).