ethyl 1-ethyl-3,5-dimethyl-4-[2-[2-methylpropanoyl(propan-2-yl)amino]acetyl]pyrrole-2-carboxylate

C20H32N2O4 — CID 42672214

IUPACethyl 1-ethyl-3,5-dimethyl-4-[2-[2-methylpropanoyl(propan-2-yl)amino]acetyl]pyrrole-2-carboxylate
SMILESCCOC(=O)c1c(C)c(C(=O)CN(C(=O)C(C)C)C(C)C)c(C)n1CC
InChIInChI=1S/C20H32N2O4/c1-9-21-15(8)17(14(7)18(21)20(25)26-10-2)16(23)11-22(13(5)6)19(24)12(3)4/h12-13H,9-11H2,1-8H3
InChIKeyWDKBIDJENOEOOM-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.38
Rot. Bonds8

About ethyl 1-ethyl-3,5-dimethyl-4-[2-[2-methylpropanoyl(propan-2-yl)amino]acetyl]pyrrole-2-carboxylate

ethyl 1-ethyl-3,5-dimethyl-4-[2-[2-methylpropanoyl(propan-2-yl)amino]acetyl]pyrrole-2-carboxylate (PubChem CID 42672214) has the molecular formula C20H32N2O4 and a molecular weight of 364.49 g/mol. Its IUPAC name is ethyl 1-ethyl-3,5-dimethyl-4-[2-[2-methylpropanoyl(propan-2-yl)amino]acetyl]pyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-ethyl-3,5-dimethyl-4-[2-[2-methylpropanoyl(propan-2-yl)amino]acetyl]pyrrole-2-carboxylate
PubChem CID42672214
Molecular FormulaC20H32N2O4
Molecular Weight364.49 g/mol
Exact Mass364.24
IUPAC Nameethyl 1-ethyl-3,5-dimethyl-4-[2-[2-methylpropanoyl(propan-2-yl)amino]acetyl]pyrrole-2-carboxylate
SMILESCCOC(=O)c1c(C)c(C(=O)CN(C(=O)C(C)C)C(C)C)c(C)n1CC
InChIInChI=1S/C20H32N2O4/c1-9-21-15(8)17(14(7)18(21)20(25)26-10-2)16(23)11-22(13(5)6)19(24)12(3)4/h12-13H,9-11H2,1-8H3
InChIKeyWDKBIDJENOEOOM-UHFFFAOYSA-N
XLogP3.38
TPSA68.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-ethyl-3,5-dimethyl-4-[2-[propan-2-yl(propan-2-ylcarbamoyl)amino]acetyl]pyrrole-2-carboxylate
CID 42672276
ethyl 1-ethyl-3,5-dimethyl-4-[2-[(4-methylbenzoyl)-propan-2-ylamino]acetyl]pyrrole-2-carboxylate
CID 42672219
ethyl 1-ethyl-3,5-dimethyl-4-[2-[2-methylpropanoyl(2-methylpropyl)amino]propanoyl]pyrrole-2-carboxylate
CID 42674846
ethyl 1,3,5-trimethyl-4-[2-[propan-2-yl(propan-2-ylcarbamoyl)amino]acetyl]pyrrole-2-carboxylate
CID 42671223
ethyl 4-[2-[benzoyl(methyl)amino]acetyl]-1-ethyl-3,5-dimethylpyrrole-2-carboxylate
CID 42672812
ethyl 1-ethyl-3,5-dimethyl-4-[2-[methyl(propanoyl)amino]propanoyl]pyrrole-2-carboxylate
CID 42823981
ethyl 4-[2-[(4-chlorobenzoyl)-(3-methylbutyl)amino]acetyl]-1-ethyl-3,5-dimethylpyrrole-2-carboxylate
CID 42674301
ethyl 4-(dibutylcarbamoyl)-1-ethyl-3,5-dimethylpyrrole-2-carboxylate
CID 43954055
ethyl 1-ethyl-3,5-dimethyl-4-(3-methylbutylcarbamoyl)pyrrole-2-carboxylate
CID 43954094
methyl 1-ethyl-3,5-dimethyl-4-[2-[3-methylbutyl(propanoyl)amino]acetyl]pyrrole-2-carboxylate
CID 42677871
methyl 1-ethyl-4-[2-[(2-methoxyacetyl)-(2-methylpropyl)amino]acetyl]-3,5-dimethylpyrrole-2-carboxylate
CID 42666706
methyl 1-ethyl-4-[2-[ethyl(propan-2-ylcarbamoyl)amino]acetyl]-3,5-dimethylpyrrole-2-carboxylate
CID 42677955

Frequently Asked Questions

What is the IUPAC name of ethyl 1-ethyl-3,5-dimethyl-4-[2-[2-methylpropanoyl(propan-2-yl)amino]acetyl]pyrrole-2-carboxylate?
The IUPAC name of ethyl 1-ethyl-3,5-dimethyl-4-[2-[2-methylpropanoyl(propan-2-yl)amino]acetyl]pyrrole-2-carboxylate (CID 42672214) is ethyl 1-ethyl-3,5-dimethyl-4-[2-[2-methylpropanoyl(propan-2-yl)amino]acetyl]pyrrole-2-carboxylate.
What is the SMILES notation for ethyl 1-ethyl-3,5-dimethyl-4-[2-[2-methylpropanoyl(propan-2-yl)amino]acetyl]pyrrole-2-carboxylate?
The canonical SMILES for ethyl 1-ethyl-3,5-dimethyl-4-[2-[2-methylpropanoyl(propan-2-yl)amino]acetyl]pyrrole-2-carboxylate is CCOC(=O)c1c(C)c(C(=O)CN(C(=O)C(C)C)C(C)C)c(C)n1CC.
What is the InChIKey of ethyl 1-ethyl-3,5-dimethyl-4-[2-[2-methylpropanoyl(propan-2-yl)amino]acetyl]pyrrole-2-carboxylate?
The InChIKey is WDKBIDJENOEOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O4/c1-9-21-15(8)17(14(7)18(21)20(25)26-10-2)16(23)11-22(13(5)6)19(24)12(3)4/h12-13H,9-11H2,1-8H3.
What are the key properties of ethyl 1-ethyl-3,5-dimethyl-4-[2-[2-methylpropanoyl(propan-2-yl)amino]acetyl]pyrrole-2-carboxylate?
ethyl 1-ethyl-3,5-dimethyl-4-[2-[2-methylpropanoyl(propan-2-yl)amino]acetyl]pyrrole-2-carboxylate has a molecular weight of 364.49 g/mol, XLogP of 3.38, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-ethyl-3,5-dimethyl-4-[2-[2-methylpropanoyl(propan-2-yl)amino]acetyl]pyrrole-2-carboxylate is sourced from PubChem (CID 42672214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).