(2,5-dihydroxypyrrol-1-yl) N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]carbamate

C18H24N4O5 — CID 123889450

IUPAC(2,5-dihydroxypyrrol-1-yl) N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]carbamate
SMILESCCN(CC)CCNC(=O)c1ccc(NC(=O)On2c(O)ccc2O)cc1
InChIInChI=1S/C18H24N4O5/c1-3-21(4-2)12-11-19-17(25)13-5-7-14(8-6-13)20-18(26)27-22-15(23)9-10-16(22)24/h5-10,23-24H,3-4,11-12H2,1-2H3,(H,19,25)(H,20,26)
InChIKeyJZWZIGIHGOPJOV-UHFFFAOYSA-N
MW376.41 g/mol
LogP1.63
Rot. Bonds8

About (2,5-dihydroxypyrrol-1-yl) N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]carbamate

(2,5-dihydroxypyrrol-1-yl) N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]carbamate (PubChem CID 123889450) has the molecular formula C18H24N4O5 and a molecular weight of 376.41 g/mol. Its IUPAC name is (2,5-dihydroxypyrrol-1-yl) N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]carbamate.

Molecular Properties

Compound Name(2,5-dihydroxypyrrol-1-yl) N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]carbamate
PubChem CID123889450
Molecular FormulaC18H24N4O5
Molecular Weight376.41 g/mol
Exact Mass376.17
IUPAC Name(2,5-dihydroxypyrrol-1-yl) N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]carbamate
SMILESCCN(CC)CCNC(=O)c1ccc(NC(=O)On2c(O)ccc2O)cc1
InChIInChI=1S/C18H24N4O5/c1-3-21(4-2)12-11-19-17(25)13-5-7-14(8-6-13)20-18(26)27-22-15(23)9-10-16(22)24/h5-10,23-24H,3-4,11-12H2,1-2H3,(H,19,25)(H,20,26)
InChIKeyJZWZIGIHGOPJOV-UHFFFAOYSA-N
XLogP1.63
TPSA116.06 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 51.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxypyrrol-1-yl) N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]carbamate?
The IUPAC name of (2,5-dihydroxypyrrol-1-yl) N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]carbamate (CID 123889450) is (2,5-dihydroxypyrrol-1-yl) N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]carbamate.
What is the SMILES notation for (2,5-dihydroxypyrrol-1-yl) N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]carbamate?
The canonical SMILES for (2,5-dihydroxypyrrol-1-yl) N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]carbamate is CCN(CC)CCNC(=O)c1ccc(NC(=O)On2c(O)ccc2O)cc1.
What is the InChIKey of (2,5-dihydroxypyrrol-1-yl) N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]carbamate?
The InChIKey is JZWZIGIHGOPJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O5/c1-3-21(4-2)12-11-19-17(25)13-5-7-14(8-6-13)20-18(26)27-22-15(23)9-10-16(22)24/h5-10,23-24H,3-4,11-12H2,1-2H3,(H,19,25)(H,20,26).
What are the key properties of (2,5-dihydroxypyrrol-1-yl) N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]carbamate?
(2,5-dihydroxypyrrol-1-yl) N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]carbamate has a molecular weight of 376.41 g/mol, XLogP of 1.63, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dihydroxypyrrol-1-yl) N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]carbamate is sourced from PubChem (CID 123889450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).