3-(furan-3-ylmethylamino)-N-methylpropanamide

C9H14N2O2 — CID 63204466

IUPAC3-(furan-3-ylmethylamino)-N-methylpropanamide
SMILESCNC(=O)CCNCc1ccoc1
InChIInChI=1S/C9H14N2O2/c1-10-9(12)2-4-11-6-8-3-5-13-7-8/h3,5,7,11H,2,4,6H2,1H3,(H,10,12)
InChIKeyMHFDGFWBKRFUQM-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.51
Rot. Bonds5

About 3-(furan-3-ylmethylamino)-N-methylpropanamide

3-(furan-3-ylmethylamino)-N-methylpropanamide (PubChem CID 63204466) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 3-(furan-3-ylmethylamino)-N-methylpropanamide.

Molecular Properties

Compound Name3-(furan-3-ylmethylamino)-N-methylpropanamide
PubChem CID63204466
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name3-(furan-3-ylmethylamino)-N-methylpropanamide
SMILESCNC(=O)CCNCc1ccoc1
InChIInChI=1S/C9H14N2O2/c1-10-9(12)2-4-11-6-8-3-5-13-7-8/h3,5,7,11H,2,4,6H2,1H3,(H,10,12)
InChIKeyMHFDGFWBKRFUQM-UHFFFAOYSA-N
XLogP0.51
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(furan-3-ylmethylamino)-N-methylpropanamide with MolForge

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

Launch Full Analysis

Related Compounds

4-(furan-3-ylmethylamino)-N-methylbutanamide
CID 115607627
N-cyclopropyl-3-(furan-3-ylmethylamino)propanamide
CID 78921552
1-(furan-3-yl)-N-(furan-3-ylmethyl)methanamine
CID 115607346
3-[(6-chloro-3-pyridinyl)methylamino]-N-methylpropanamide
CID 115683654
2-(furan-3-ylmethylamino)acetic acid
CID 63204531
N-(furan-3-ylmethyl)-N'-propan-2-ylethane-1,2-diamine
CID 62560326
2-[2-(furan-3-ylmethylamino)ethoxy]ethanol
CID 63032955
N-methyl-3-[(6-methyl-3-pyridinyl)methylamino]propanamide
CID 62996029
N-(furan-3-ylmethyl)-3-methoxypropan-1-amine
CID 62997873
2-[4-(furan-3-ylmethylamino)piperidin-1-yl]-N-methylacetamide
CID 63001894
furan-3-ylmethyl N-methylcarbamate
CID 57025329
4-[(furan-3-ylmethylamino)methyl]benzamide
CID 47272463

Frequently Asked Questions

What is the IUPAC name of 3-(furan-3-ylmethylamino)-N-methylpropanamide?
The IUPAC name of 3-(furan-3-ylmethylamino)-N-methylpropanamide (CID 63204466) is 3-(furan-3-ylmethylamino)-N-methylpropanamide.
What is the SMILES notation for 3-(furan-3-ylmethylamino)-N-methylpropanamide?
The canonical SMILES for 3-(furan-3-ylmethylamino)-N-methylpropanamide is CNC(=O)CCNCc1ccoc1.
What is the InChIKey of 3-(furan-3-ylmethylamino)-N-methylpropanamide?
The InChIKey is MHFDGFWBKRFUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-10-9(12)2-4-11-6-8-3-5-13-7-8/h3,5,7,11H,2,4,6H2,1H3,(H,10,12).
What are the key properties of 3-(furan-3-ylmethylamino)-N-methylpropanamide?
3-(furan-3-ylmethylamino)-N-methylpropanamide has a molecular weight of 182.22 g/mol, XLogP of 0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-3-ylmethylamino)-N-methylpropanamide is sourced from PubChem (CID 63204466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).