3-[4-(dimethylamino)anilino]-N-(furan-2-ylmethyl)propanamide

C16H21N3O2 — CID 109018533

IUPAC3-[4-(dimethylamino)anilino]-N-(furan-2-ylmethyl)propanamide
SMILESCN(C)c1ccc(NCCC(=O)NCc2ccco2)cc1
InChIInChI=1S/C16H21N3O2/c1-19(2)14-7-5-13(6-8-14)17-10-9-16(20)18-12-15-4-3-11-21-15/h3-8,11,17H,9-10,12H2,1-2H3,(H,18,20)
InChIKeyYTKBNEWEBNZBSH-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.46
Rot. Bonds7

About 3-[4-(dimethylamino)anilino]-N-(furan-2-ylmethyl)propanamide

3-[4-(dimethylamino)anilino]-N-(furan-2-ylmethyl)propanamide (PubChem CID 109018533) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-[4-(dimethylamino)anilino]-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[4-(dimethylamino)anilino]-N-(furan-2-ylmethyl)propanamide
PubChem CID109018533
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name3-[4-(dimethylamino)anilino]-N-(furan-2-ylmethyl)propanamide
SMILESCN(C)c1ccc(NCCC(=O)NCc2ccco2)cc1
InChIInChI=1S/C16H21N3O2/c1-19(2)14-7-5-13(6-8-14)17-10-9-16(20)18-12-15-4-3-11-21-15/h3-8,11,17H,9-10,12H2,1-2H3,(H,18,20)
InChIKeyYTKBNEWEBNZBSH-UHFFFAOYSA-N
XLogP2.46
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 3-[4-(dimethylamino)anilino]-N-(furan-2-ylmethyl)propanamide 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

3-(4-acetylanilino)-N-(furan-2-ylmethyl)propanamide
CID 109018525
N-(furan-2-ylmethyl)-3-(4-propan-2-ylanilino)propanamide
CID 109018491
N'-[4-(dimethylamino)phenyl]-N-(furan-2-ylmethyl)oxamide
CID 3148860
N-[4-(dimethylamino)phenyl]-2-(furan-2-ylmethylamino)acetamide
CID 54773447
N'-(furan-2-ylmethyl)-N-propylbutanediamide
CID 4024516
3-[4-(dimethylamino)anilino]-N-pentylpropanamide
CID 109032181
N-(furan-2-ylmethyl)-3-hydroxypropanamide
CID 82111306
6-N-[4-(dimethylamino)phenyl]-2-N-(furan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109097185
N-butyl-N'-(furan-2-ylmethyl)butanediamide
CID 3970511
2-(4-ethylanilino)-N-(furan-2-ylmethyl)acetamide
CID 37465954
2-(4-acetylanilino)-N-(furan-2-ylmethyl)acetamide
CID 31664817
N-[4-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835371

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)anilino]-N-(furan-2-ylmethyl)propanamide?
The IUPAC name of 3-[4-(dimethylamino)anilino]-N-(furan-2-ylmethyl)propanamide (CID 109018533) is 3-[4-(dimethylamino)anilino]-N-(furan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[4-(dimethylamino)anilino]-N-(furan-2-ylmethyl)propanamide?
The canonical SMILES for 3-[4-(dimethylamino)anilino]-N-(furan-2-ylmethyl)propanamide is CN(C)c1ccc(NCCC(=O)NCc2ccco2)cc1.
What is the InChIKey of 3-[4-(dimethylamino)anilino]-N-(furan-2-ylmethyl)propanamide?
The InChIKey is YTKBNEWEBNZBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-19(2)14-7-5-13(6-8-14)17-10-9-16(20)18-12-15-4-3-11-21-15/h3-8,11,17H,9-10,12H2,1-2H3,(H,18,20).
What are the key properties of 3-[4-(dimethylamino)anilino]-N-(furan-2-ylmethyl)propanamide?
3-[4-(dimethylamino)anilino]-N-(furan-2-ylmethyl)propanamide has a molecular weight of 287.36 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)anilino]-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 109018533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).