N-[3-(hydroxymethyl)pentan-3-yl]-1-propylpyrrole-2-carboxamide

C14H24N2O2 — CID 62520316

IUPACN-[3-(hydroxymethyl)pentan-3-yl]-1-propylpyrrole-2-carboxamide
SMILESCCCn1cccc1C(=O)NC(CC)(CC)CO
InChIInChI=1S/C14H24N2O2/c1-4-9-16-10-7-8-12(16)13(18)15-14(5-2,6-3)11-17/h7-8,10,17H,4-6,9,11H2,1-3H3,(H,15,18)
InChIKeyWPHIOAVIECHIKY-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.18
Rot. Bonds7

About N-[3-(hydroxymethyl)pentan-3-yl]-1-propylpyrrole-2-carboxamide

N-[3-(hydroxymethyl)pentan-3-yl]-1-propylpyrrole-2-carboxamide (PubChem CID 62520316) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)pentan-3-yl]-1-propylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)pentan-3-yl]-1-propylpyrrole-2-carboxamide
PubChem CID62520316
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC NameN-[3-(hydroxymethyl)pentan-3-yl]-1-propylpyrrole-2-carboxamide
SMILESCCCn1cccc1C(=O)NC(CC)(CC)CO
InChIInChI=1S/C14H24N2O2/c1-4-9-16-10-7-8-12(16)13(18)15-14(5-2,6-3)11-17/h7-8,10,17H,4-6,9,11H2,1-3H3,(H,15,18)
InChIKeyWPHIOAVIECHIKY-UHFFFAOYSA-N
XLogP2.18
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[3-(hydroxymethyl)pentan-3-yl]-1-propylpyrrole-2-carboxamide 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-[3-(hydroxymethyl)pentan-3-yl]-1-propylpyrrole-2-carboxamide?
The IUPAC name of N-[3-(hydroxymethyl)pentan-3-yl]-1-propylpyrrole-2-carboxamide (CID 62520316) is N-[3-(hydroxymethyl)pentan-3-yl]-1-propylpyrrole-2-carboxamide.
What is the SMILES notation for N-[3-(hydroxymethyl)pentan-3-yl]-1-propylpyrrole-2-carboxamide?
The canonical SMILES for N-[3-(hydroxymethyl)pentan-3-yl]-1-propylpyrrole-2-carboxamide is CCCn1cccc1C(=O)NC(CC)(CC)CO.
What is the InChIKey of N-[3-(hydroxymethyl)pentan-3-yl]-1-propylpyrrole-2-carboxamide?
The InChIKey is WPHIOAVIECHIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-4-9-16-10-7-8-12(16)13(18)15-14(5-2,6-3)11-17/h7-8,10,17H,4-6,9,11H2,1-3H3,(H,15,18).
What are the key properties of N-[3-(hydroxymethyl)pentan-3-yl]-1-propylpyrrole-2-carboxamide?
N-[3-(hydroxymethyl)pentan-3-yl]-1-propylpyrrole-2-carboxamide has a molecular weight of 252.36 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydroxymethyl)pentan-3-yl]-1-propylpyrrole-2-carboxamide is sourced from PubChem (CID 62520316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).