N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-1-(furan-2-ylmethyl)-N,2,5-trimethylpyrrole-3-carboxamide

C25H31N3O5 — CID 32755216

IUPACN-[2-(3,4-diethoxyanilino)-2-oxoethyl]-1-(furan-2-ylmethyl)-N,2,5-trimethylpyrrole-3-carboxamide
SMILESCCOc1ccc(NC(=O)CN(C)C(=O)c2cc(C)n(Cc3ccco3)c2C)cc1OCC
InChIInChI=1S/C25H31N3O5/c1-6-31-22-11-10-19(14-23(22)32-7-2)26-24(29)16-27(5)25(30)21-13-17(3)28(18(21)4)15-20-9-8-12-33-20/h8-14H,6-7,15-16H2,1-5H3,(H,26,29)
InChIKeyVJUKOMOCLKIBLJ-UHFFFAOYSA-N
MW453.54 g/mol
LogP4.25
Rot. Bonds10

About N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-1-(furan-2-ylmethyl)-N,2,5-trimethylpyrrole-3-carboxamide

N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-1-(furan-2-ylmethyl)-N,2,5-trimethylpyrrole-3-carboxamide (PubChem CID 32755216) has the molecular formula C25H31N3O5 and a molecular weight of 453.54 g/mol. Its IUPAC name is N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-1-(furan-2-ylmethyl)-N,2,5-trimethylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-diethoxyanilino)-2-oxoethyl]-1-(furan-2-ylmethyl)-N,2,5-trimethylpyrrole-3-carboxamide
PubChem CID32755216
Molecular FormulaC25H31N3O5
Molecular Weight453.54 g/mol
Exact Mass453.23
IUPAC NameN-[2-(3,4-diethoxyanilino)-2-oxoethyl]-1-(furan-2-ylmethyl)-N,2,5-trimethylpyrrole-3-carboxamide
SMILESCCOc1ccc(NC(=O)CN(C)C(=O)c2cc(C)n(Cc3ccco3)c2C)cc1OCC
InChIInChI=1S/C25H31N3O5/c1-6-31-22-11-10-19(14-23(22)32-7-2)26-24(29)16-27(5)25(30)21-13-17(3)28(18(21)4)15-20-9-8-12-33-20/h8-14H,6-7,15-16H2,1-5H3,(H,26,29)
InChIKeyVJUKOMOCLKIBLJ-UHFFFAOYSA-N
XLogP4.25
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide
CID 43022678
N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,2,3-trimethylbenzamide
CID 43010376
2-bromo-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylbenzamide
CID 2475779
N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,2,4-trimethylbenzamide
CID 31186182
N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,5-dimethylfuran-2-carboxamide
CID 2650227
N-(3-fluorophenyl)-2-[[(2S)-1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-1-oxopropan-2-yl]-methylamino]acetamide
CID 8846276
[2-(4-ethylanilino)-2-oxoethyl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
CID 8731544
N-(3,4-diethoxyphenyl)-2-[[4-(furan-2-ylmethyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 16586882
N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,2-dimethylcyclopropane-1-carboxamide
CID 25162519
N-(4-acetamidophenyl)-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide
CID 30683396
3,5-dichloro-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylbenzamide
CID 31186118
[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-ethoxybenzoate
CID 8606513

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-1-(furan-2-ylmethyl)-N,2,5-trimethylpyrrole-3-carboxamide?
The IUPAC name of N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-1-(furan-2-ylmethyl)-N,2,5-trimethylpyrrole-3-carboxamide (CID 32755216) is N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-1-(furan-2-ylmethyl)-N,2,5-trimethylpyrrole-3-carboxamide.
What is the SMILES notation for N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-1-(furan-2-ylmethyl)-N,2,5-trimethylpyrrole-3-carboxamide?
The canonical SMILES for N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-1-(furan-2-ylmethyl)-N,2,5-trimethylpyrrole-3-carboxamide is CCOc1ccc(NC(=O)CN(C)C(=O)c2cc(C)n(Cc3ccco3)c2C)cc1OCC.
What is the InChIKey of N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-1-(furan-2-ylmethyl)-N,2,5-trimethylpyrrole-3-carboxamide?
The InChIKey is VJUKOMOCLKIBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O5/c1-6-31-22-11-10-19(14-23(22)32-7-2)26-24(29)16-27(5)25(30)21-13-17(3)28(18(21)4)15-20-9-8-12-33-20/h8-14H,6-7,15-16H2,1-5H3,(H,26,29).
What are the key properties of N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-1-(furan-2-ylmethyl)-N,2,5-trimethylpyrrole-3-carboxamide?
N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-1-(furan-2-ylmethyl)-N,2,5-trimethylpyrrole-3-carboxamide has a molecular weight of 453.54 g/mol, XLogP of 4.25, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-1-(furan-2-ylmethyl)-N,2,5-trimethylpyrrole-3-carboxamide is sourced from PubChem (CID 32755216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).