[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate

C24H26N2O5 — CID 7448659

IUPAC[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
SMILESCCCn1c(C)cc(C(=O)COC(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)c1C
InChIInChI=1S/C24H26N2O5/c1-5-10-26-16(3)12-19(17(26)4)21(27)14-31-24(29)18-9-8-15(2)20(13-18)25-23(28)22-7-6-11-30-22/h6-9,11-13H,5,10,14H2,1-4H3,(H,25,28)
InChIKeyILHMTHQGROFEKH-UHFFFAOYSA-N
MW422.48 g/mol
LogP4.71
Rot. Bonds8

About [2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate

[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate (PubChem CID 7448659) has the molecular formula C24H26N2O5 and a molecular weight of 422.48 g/mol. Its IUPAC name is [2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate.

Molecular Properties

Compound Name[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
PubChem CID7448659
Molecular FormulaC24H26N2O5
Molecular Weight422.48 g/mol
Exact Mass422.18
IUPAC Name[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
SMILESCCCn1c(C)cc(C(=O)COC(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)c1C
InChIInChI=1S/C24H26N2O5/c1-5-10-26-16(3)12-19(17(26)4)21(27)14-31-24(29)18-9-8-15(2)20(13-18)25-23(28)22-7-6-11-30-22/h6-9,11-13H,5,10,14H2,1-4H3,(H,25,28)
InChIKeyILHMTHQGROFEKH-UHFFFAOYSA-N
XLogP4.71
TPSA90.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate with MolForge

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Related Compounds

[2-(4-ethylphenyl)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 7448546
[2-(4-methylphenyl)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 23937853
(2-amino-2-oxoethyl) 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 2605474
[2-(4-bromophenyl)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 4801787
[2-(4-chlorophenyl)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 4802237
[2-(diethylamino)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 2559432
(2-oxo-2-propan-2-yloxyethyl) 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 24557608
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 7544411
[2-(3,5-dimethylanilino)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 4858769
2-(3,5-dimethylpyrazol-1-yl)ethyl 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 60554768
[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl] 4-(2,5-dimethylpyrrol-1-yl)benzoate
CID 7275044
[2-oxo-2-(2,4,5-trichloroanilino)ethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 2357454

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate?
The IUPAC name of [2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate (CID 7448659) is [2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate.
What is the SMILES notation for [2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate?
The canonical SMILES for [2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate is CCCn1c(C)cc(C(=O)COC(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)c1C.
What is the InChIKey of [2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate?
The InChIKey is ILHMTHQGROFEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5/c1-5-10-26-16(3)12-19(17(26)4)21(27)14-31-24(29)18-9-8-15(2)20(13-18)25-23(28)22-7-6-11-30-22/h6-9,11-13H,5,10,14H2,1-4H3,(H,25,28).
What are the key properties of [2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate?
[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate has a molecular weight of 422.48 g/mol, XLogP of 4.71, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate is sourced from PubChem (CID 7448659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).