N-(3-morpholin-4-ylpropyl)furan-2-carboxamide

C12H18N2O3 — CID 2168338

IUPACN-(3-morpholin-4-ylpropyl)furan-2-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1ccco1
InChIInChI=1S/C12H18N2O3/c15-12(11-3-1-8-17-11)13-4-2-5-14-6-9-16-10-7-14/h1,3,8H,2,4-7,9-10H2,(H,13,15)
InChIKeyYJYLLILLQMITKL-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.73
Rot. Bonds5

About N-(3-morpholin-4-ylpropyl)furan-2-carboxamide

N-(3-morpholin-4-ylpropyl)furan-2-carboxamide (PubChem CID 2168338) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)furan-2-carboxamide
PubChem CID2168338
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC NameN-(3-morpholin-4-ylpropyl)furan-2-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1ccco1
InChIInChI=1S/C12H18N2O3/c15-12(11-3-1-8-17-11)13-4-2-5-14-6-9-16-10-7-14/h1,3,8H,2,4-7,9-10H2,(H,13,15)
InChIKeyYJYLLILLQMITKL-UHFFFAOYSA-N
XLogP0.73
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(3-morpholin-4-ylpropyl)furan-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-morpholin-4-ylpropyl)furan-2-carboxamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)furan-2-carboxamide (CID 2168338) is N-(3-morpholin-4-ylpropyl)furan-2-carboxamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)furan-2-carboxamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)furan-2-carboxamide is O=C(NCCCN1CCOCC1)c1ccco1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)furan-2-carboxamide?
The InChIKey is YJYLLILLQMITKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c15-12(11-3-1-8-17-11)13-4-2-5-14-6-9-16-10-7-14/h1,3,8H,2,4-7,9-10H2,(H,13,15).
What are the key properties of N-(3-morpholin-4-ylpropyl)furan-2-carboxamide?
N-(3-morpholin-4-ylpropyl)furan-2-carboxamide has a molecular weight of 238.29 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)furan-2-carboxamide is sourced from PubChem (CID 2168338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).