1-butyl-3-N,3-N-diethyl-4-N,4-N,2,5-tetramethylpyrrole-3,4-dicarboxamide

C18H31N3O2 — CID 53243395

IUPAC1-butyl-3-N,3-N-diethyl-4-N,4-N,2,5-tetramethylpyrrole-3,4-dicarboxamide
SMILESCCCCn1c(C)c(C(=O)N(C)C)c(C(=O)N(CC)CC)c1C
InChIInChI=1S/C18H31N3O2/c1-8-11-12-21-13(4)15(17(22)19(6)7)16(14(21)5)18(23)20(9-2)10-3/h8-12H2,1-7H3
InChIKeyHJRGUFDZTAZNTC-UHFFFAOYSA-N
MW321.47 g/mol
LogP3.09
Rot. Bonds7

About 1-butyl-3-N,3-N-diethyl-4-N,4-N,2,5-tetramethylpyrrole-3,4-dicarboxamide

1-butyl-3-N,3-N-diethyl-4-N,4-N,2,5-tetramethylpyrrole-3,4-dicarboxamide (PubChem CID 53243395) has the molecular formula C18H31N3O2 and a molecular weight of 321.47 g/mol. Its IUPAC name is 1-butyl-3-N,3-N-diethyl-4-N,4-N,2,5-tetramethylpyrrole-3,4-dicarboxamide.

Molecular Properties

Compound Name1-butyl-3-N,3-N-diethyl-4-N,4-N,2,5-tetramethylpyrrole-3,4-dicarboxamide
PubChem CID53243395
Molecular FormulaC18H31N3O2
Molecular Weight321.47 g/mol
Exact Mass321.24
IUPAC Name1-butyl-3-N,3-N-diethyl-4-N,4-N,2,5-tetramethylpyrrole-3,4-dicarboxamide
SMILESCCCCn1c(C)c(C(=O)N(C)C)c(C(=O)N(CC)CC)c1C
InChIInChI=1S/C18H31N3O2/c1-8-11-12-21-13(4)15(17(22)19(6)7)16(14(21)5)18(23)20(9-2)10-3/h8-12H2,1-7H3
InChIKeyHJRGUFDZTAZNTC-UHFFFAOYSA-N
XLogP3.09
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-N,3-N-diethyl-4-N,4-N,2,5-tetramethylpyrrole-3,4-dicarboxamide?
The IUPAC name of 1-butyl-3-N,3-N-diethyl-4-N,4-N,2,5-tetramethylpyrrole-3,4-dicarboxamide (CID 53243395) is 1-butyl-3-N,3-N-diethyl-4-N,4-N,2,5-tetramethylpyrrole-3,4-dicarboxamide.
What is the SMILES notation for 1-butyl-3-N,3-N-diethyl-4-N,4-N,2,5-tetramethylpyrrole-3,4-dicarboxamide?
The canonical SMILES for 1-butyl-3-N,3-N-diethyl-4-N,4-N,2,5-tetramethylpyrrole-3,4-dicarboxamide is CCCCn1c(C)c(C(=O)N(C)C)c(C(=O)N(CC)CC)c1C.
What is the InChIKey of 1-butyl-3-N,3-N-diethyl-4-N,4-N,2,5-tetramethylpyrrole-3,4-dicarboxamide?
The InChIKey is HJRGUFDZTAZNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O2/c1-8-11-12-21-13(4)15(17(22)19(6)7)16(14(21)5)18(23)20(9-2)10-3/h8-12H2,1-7H3.
What are the key properties of 1-butyl-3-N,3-N-diethyl-4-N,4-N,2,5-tetramethylpyrrole-3,4-dicarboxamide?
1-butyl-3-N,3-N-diethyl-4-N,4-N,2,5-tetramethylpyrrole-3,4-dicarboxamide has a molecular weight of 321.47 g/mol, XLogP of 3.09, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-N,3-N-diethyl-4-N,4-N,2,5-tetramethylpyrrole-3,4-dicarboxamide is sourced from PubChem (CID 53243395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).