N-(1-butyl-2,5-dihydroxypyrrol-3-yl)-N-propylacetamide

C13H22N2O3 — CID 90757996

IUPACN-(1-butyl-2,5-dihydroxypyrrol-3-yl)-N-propylacetamide
SMILESCCCCn1c(O)cc(N(CCC)C(C)=O)c1O
InChIInChI=1S/C13H22N2O3/c1-4-6-8-15-12(17)9-11(13(15)18)14(7-5-2)10(3)16/h9,17-18H,4-8H2,1-3H3
InChIKeyQLXUJDNHHXYCMJ-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.46
Rot. Bonds6

About N-(1-butyl-2,5-dihydroxypyrrol-3-yl)-N-propylacetamide

N-(1-butyl-2,5-dihydroxypyrrol-3-yl)-N-propylacetamide (PubChem CID 90757996) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is N-(1-butyl-2,5-dihydroxypyrrol-3-yl)-N-propylacetamide.

Molecular Properties

Compound NameN-(1-butyl-2,5-dihydroxypyrrol-3-yl)-N-propylacetamide
PubChem CID90757996
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC NameN-(1-butyl-2,5-dihydroxypyrrol-3-yl)-N-propylacetamide
SMILESCCCCn1c(O)cc(N(CCC)C(C)=O)c1O
InChIInChI=1S/C13H22N2O3/c1-4-6-8-15-12(17)9-11(13(15)18)14(7-5-2)10(3)16/h9,17-18H,4-8H2,1-3H3
InChIKeyQLXUJDNHHXYCMJ-UHFFFAOYSA-N
XLogP2.46
TPSA65.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(1-butyl-2,5-dihydroxypyrrol-3-yl)-N-propylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-butyl-2,5-dihydroxypyrrol-3-yl)-N-propylacetamide?
The IUPAC name of N-(1-butyl-2,5-dihydroxypyrrol-3-yl)-N-propylacetamide (CID 90757996) is N-(1-butyl-2,5-dihydroxypyrrol-3-yl)-N-propylacetamide.
What is the SMILES notation for N-(1-butyl-2,5-dihydroxypyrrol-3-yl)-N-propylacetamide?
The canonical SMILES for N-(1-butyl-2,5-dihydroxypyrrol-3-yl)-N-propylacetamide is CCCCn1c(O)cc(N(CCC)C(C)=O)c1O.
What is the InChIKey of N-(1-butyl-2,5-dihydroxypyrrol-3-yl)-N-propylacetamide?
The InChIKey is QLXUJDNHHXYCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-4-6-8-15-12(17)9-11(13(15)18)14(7-5-2)10(3)16/h9,17-18H,4-8H2,1-3H3.
What are the key properties of N-(1-butyl-2,5-dihydroxypyrrol-3-yl)-N-propylacetamide?
N-(1-butyl-2,5-dihydroxypyrrol-3-yl)-N-propylacetamide has a molecular weight of 254.33 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-butyl-2,5-dihydroxypyrrol-3-yl)-N-propylacetamide is sourced from PubChem (CID 90757996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).