methyl 4-[2-[(2-methoxyacetyl)-(2-morpholin-4-ylethyl)amino]acetyl]-1,3,5-trimethylpyrrole-2-carboxylate

C20H31N3O6 — CID 42675840

IUPACmethyl 4-[2-[(2-methoxyacetyl)-(2-morpholin-4-ylethyl)amino]acetyl]-1,3,5-trimethylpyrrole-2-carboxylate
SMILESCOCC(=O)N(CCN1CCOCC1)CC(=O)c1c(C)c(C(=O)OC)n(C)c1C
InChIInChI=1S/C20H31N3O6/c1-14-18(15(2)21(3)19(14)20(26)28-5)16(24)12-23(17(25)13-27-4)7-6-22-8-10-29-11-9-22/h6-13H2,1-5H3
InChIKeyJTJOCIUMNGTHTR-UHFFFAOYSA-N
MW409.48 g/mol
LogP0.42
Rot. Bonds9

About methyl 4-[2-[(2-methoxyacetyl)-(2-morpholin-4-ylethyl)amino]acetyl]-1,3,5-trimethylpyrrole-2-carboxylate

methyl 4-[2-[(2-methoxyacetyl)-(2-morpholin-4-ylethyl)amino]acetyl]-1,3,5-trimethylpyrrole-2-carboxylate (PubChem CID 42675840) has the molecular formula C20H31N3O6 and a molecular weight of 409.48 g/mol. Its IUPAC name is methyl 4-[2-[(2-methoxyacetyl)-(2-morpholin-4-ylethyl)amino]acetyl]-1,3,5-trimethylpyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-[(2-methoxyacetyl)-(2-morpholin-4-ylethyl)amino]acetyl]-1,3,5-trimethylpyrrole-2-carboxylate
PubChem CID42675840
Molecular FormulaC20H31N3O6
Molecular Weight409.48 g/mol
Exact Mass409.22
IUPAC Namemethyl 4-[2-[(2-methoxyacetyl)-(2-morpholin-4-ylethyl)amino]acetyl]-1,3,5-trimethylpyrrole-2-carboxylate
SMILESCOCC(=O)N(CCN1CCOCC1)CC(=O)c1c(C)c(C(=O)OC)n(C)c1C
InChIInChI=1S/C20H31N3O6/c1-14-18(15(2)21(3)19(14)20(26)28-5)16(24)12-23(17(25)13-27-4)7-6-22-8-10-29-11-9-22/h6-13H2,1-5H3
InChIKeyJTJOCIUMNGTHTR-UHFFFAOYSA-N
XLogP0.42
TPSA90.31 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.48
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 4-[2-[(2-methoxyacetyl)-(2-morpholin-4-ylethyl)amino]acetyl]-1,3,5-trimethylpyrrole-2-carboxylate with MolForge

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Related Compounds

ethyl 4-[2-[benzoyl(2-morpholin-4-ylethyl)amino]acetyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 42822107
methyl 4-[2-[(2-methoxyacetyl)-propan-2-ylamino]acetyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 42675885
methyl 1-ethyl-4-[2-[(4-methoxybenzoyl)-(2-morpholin-4-ylethyl)amino]acetyl]-3,5-dimethylpyrrole-2-carboxylate
CID 42800357
ethyl 4-[2-[2-methoxyethyl(propanoyl)amino]acetyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 42671191
methyl 4-[2-[cyclopropanecarbonyl(3-ethoxypropyl)amino]acetyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 42677004
methyl 4-[2-[furan-2-ylmethyl(propanoyl)amino]acetyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 42675864
dimethyl 1,3,5-trimethylpyrrole-2,4-dicarboxylate
CID 10036603
methyl 1,3,5-trimethyl-4-[2-[(4-methylbenzoyl)-(oxolan-2-ylmethyl)amino]acetyl]pyrrole-2-carboxylate
CID 42676988
ethyl 1,3,5-trimethyl-4-[2-[3-methylbutanoyl(propyl)amino]acetyl]pyrrole-2-carboxylate
CID 42821168
methyl 4-[2-[(4-fluorobenzoyl)-[[(2S)-oxolan-2-yl]methyl]amino]acetyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 93143650
methyl 4-[2-[(3-methoxybenzoyl)-(2-morpholin-4-ylethyl)amino]acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 42671048
methyl 4-[2-[(3-methoxybenzoyl)-[[(2S)-oxolan-2-yl]methyl]amino]acetyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 93143668

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-[(2-methoxyacetyl)-(2-morpholin-4-ylethyl)amino]acetyl]-1,3,5-trimethylpyrrole-2-carboxylate?
The IUPAC name of methyl 4-[2-[(2-methoxyacetyl)-(2-morpholin-4-ylethyl)amino]acetyl]-1,3,5-trimethylpyrrole-2-carboxylate (CID 42675840) is methyl 4-[2-[(2-methoxyacetyl)-(2-morpholin-4-ylethyl)amino]acetyl]-1,3,5-trimethylpyrrole-2-carboxylate.
What is the SMILES notation for methyl 4-[2-[(2-methoxyacetyl)-(2-morpholin-4-ylethyl)amino]acetyl]-1,3,5-trimethylpyrrole-2-carboxylate?
The canonical SMILES for methyl 4-[2-[(2-methoxyacetyl)-(2-morpholin-4-ylethyl)amino]acetyl]-1,3,5-trimethylpyrrole-2-carboxylate is COCC(=O)N(CCN1CCOCC1)CC(=O)c1c(C)c(C(=O)OC)n(C)c1C.
What is the InChIKey of methyl 4-[2-[(2-methoxyacetyl)-(2-morpholin-4-ylethyl)amino]acetyl]-1,3,5-trimethylpyrrole-2-carboxylate?
The InChIKey is JTJOCIUMNGTHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O6/c1-14-18(15(2)21(3)19(14)20(26)28-5)16(24)12-23(17(25)13-27-4)7-6-22-8-10-29-11-9-22/h6-13H2,1-5H3.
What are the key properties of methyl 4-[2-[(2-methoxyacetyl)-(2-morpholin-4-ylethyl)amino]acetyl]-1,3,5-trimethylpyrrole-2-carboxylate?
methyl 4-[2-[(2-methoxyacetyl)-(2-morpholin-4-ylethyl)amino]acetyl]-1,3,5-trimethylpyrrole-2-carboxylate has a molecular weight of 409.48 g/mol, XLogP of 0.42, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-[(2-methoxyacetyl)-(2-morpholin-4-ylethyl)amino]acetyl]-1,3,5-trimethylpyrrole-2-carboxylate is sourced from PubChem (CID 42675840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).