(2,5-dihydroxypyrrol-1-yl) 3-(dipropylcarbamoyl)-5-methylbenzoate

C19H24N2O5 — CID 91512471

IUPAC(2,5-dihydroxypyrrol-1-yl) 3-(dipropylcarbamoyl)-5-methylbenzoate
SMILESCCCN(CCC)C(=O)c1cc(C)cc(C(=O)On2c(O)ccc2O)c1
InChIInChI=1S/C19H24N2O5/c1-4-8-20(9-5-2)18(24)14-10-13(3)11-15(12-14)19(25)26-21-16(22)6-7-17(21)23/h6-7,10-12,22-23H,4-5,8-9H2,1-3H3
InChIKeyWQVUVDJGDYEROM-UHFFFAOYSA-N
MW360.41 g/mol
LogP2.74
Rot. Bonds7

About (2,5-dihydroxypyrrol-1-yl) 3-(dipropylcarbamoyl)-5-methylbenzoate

(2,5-dihydroxypyrrol-1-yl) 3-(dipropylcarbamoyl)-5-methylbenzoate (PubChem CID 91512471) has the molecular formula C19H24N2O5 and a molecular weight of 360.41 g/mol. Its IUPAC name is (2,5-dihydroxypyrrol-1-yl) 3-(dipropylcarbamoyl)-5-methylbenzoate.

Molecular Properties

Compound Name(2,5-dihydroxypyrrol-1-yl) 3-(dipropylcarbamoyl)-5-methylbenzoate
PubChem CID91512471
Molecular FormulaC19H24N2O5
Molecular Weight360.41 g/mol
Exact Mass360.17
IUPAC Name(2,5-dihydroxypyrrol-1-yl) 3-(dipropylcarbamoyl)-5-methylbenzoate
SMILESCCCN(CCC)C(=O)c1cc(C)cc(C(=O)On2c(O)ccc2O)c1
InChIInChI=1S/C19H24N2O5/c1-4-8-20(9-5-2)18(24)14-10-13(3)11-15(12-14)19(25)26-21-16(22)6-7-17(21)23/h6-7,10-12,22-23H,4-5,8-9H2,1-3H3
InChIKeyWQVUVDJGDYEROM-UHFFFAOYSA-N
XLogP2.74
TPSA92.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxypyrrol-1-yl) 3-(dipropylcarbamoyl)-5-methylbenzoate?
The IUPAC name of (2,5-dihydroxypyrrol-1-yl) 3-(dipropylcarbamoyl)-5-methylbenzoate (CID 91512471) is (2,5-dihydroxypyrrol-1-yl) 3-(dipropylcarbamoyl)-5-methylbenzoate.
What is the SMILES notation for (2,5-dihydroxypyrrol-1-yl) 3-(dipropylcarbamoyl)-5-methylbenzoate?
The canonical SMILES for (2,5-dihydroxypyrrol-1-yl) 3-(dipropylcarbamoyl)-5-methylbenzoate is CCCN(CCC)C(=O)c1cc(C)cc(C(=O)On2c(O)ccc2O)c1.
What is the InChIKey of (2,5-dihydroxypyrrol-1-yl) 3-(dipropylcarbamoyl)-5-methylbenzoate?
The InChIKey is WQVUVDJGDYEROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5/c1-4-8-20(9-5-2)18(24)14-10-13(3)11-15(12-14)19(25)26-21-16(22)6-7-17(21)23/h6-7,10-12,22-23H,4-5,8-9H2,1-3H3.
What are the key properties of (2,5-dihydroxypyrrol-1-yl) 3-(dipropylcarbamoyl)-5-methylbenzoate?
(2,5-dihydroxypyrrol-1-yl) 3-(dipropylcarbamoyl)-5-methylbenzoate has a molecular weight of 360.41 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dihydroxypyrrol-1-yl) 3-(dipropylcarbamoyl)-5-methylbenzoate is sourced from PubChem (CID 91512471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).