2,5-dimethyl-N-[3-(propylaminomethyl)phenyl]furan-3-carboxamide

C17H22N2O2 — CID 106910635

IUPAC2,5-dimethyl-N-[3-(propylaminomethyl)phenyl]furan-3-carboxamide
SMILESCCCNCc1cccc(NC(=O)c2cc(C)oc2C)c1
InChIInChI=1S/C17H22N2O2/c1-4-8-18-11-14-6-5-7-15(10-14)19-17(20)16-9-12(2)21-13(16)3/h5-7,9-10,18H,4,8,11H2,1-3H3,(H,19,20)
InChIKeyUJMNDRGSDAGQSY-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.65
Rot. Bonds6

About 2,5-dimethyl-N-[3-(propylaminomethyl)phenyl]furan-3-carboxamide

2,5-dimethyl-N-[3-(propylaminomethyl)phenyl]furan-3-carboxamide (PubChem CID 106910635) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 2,5-dimethyl-N-[3-(propylaminomethyl)phenyl]furan-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[3-(propylaminomethyl)phenyl]furan-3-carboxamide
PubChem CID106910635
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name2,5-dimethyl-N-[3-(propylaminomethyl)phenyl]furan-3-carboxamide
SMILESCCCNCc1cccc(NC(=O)c2cc(C)oc2C)c1
InChIInChI=1S/C17H22N2O2/c1-4-8-18-11-14-6-5-7-15(10-14)19-17(20)16-9-12(2)21-13(16)3/h5-7,9-10,18H,4,8,11H2,1-3H3,(H,19,20)
InChIKeyUJMNDRGSDAGQSY-UHFFFAOYSA-N
XLogP3.65
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,5-dimethyl-N-[3-(propylaminomethyl)phenyl]furan-3-carboxamide 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

2,5-dimethyl-N-[3-(pentanoylamino)phenyl]furan-3-carboxamide
CID 12040666
N-(3-acetylphenyl)-2,5-dimethylfuran-3-carboxamide
CID 4057606
2,3-dimethyl-N-[3-(propylaminomethyl)phenyl]butanamide
CID 106910739
N-[3-(propylaminomethyl)phenyl]-1H-pyrazole-4-carboxamide
CID 106910687
N-[3-(ethylaminomethyl)phenyl]-3-hydroxy-2-methylbenzamide
CID 82808670
2-cyclopropyl-N-[3-(propylaminomethyl)phenyl]acetamide
CID 106910721
2-cyclopropyl-N-[3-(propylaminomethyl)phenyl]propanamide
CID 106910711
2-bromo-N-[3-(ethylaminomethyl)phenyl]-3-methylbenzamide
CID 107983060
N-[3-(propylaminomethyl)phenyl]oxane-4-carboxamide
CID 106910686
N-[3-(2-aminoethoxy)phenyl]-2,5-dimethylfuran-3-carboxamide
CID 43175539
3-methoxy-3-methyl-N-[3-(propylaminomethyl)phenyl]butanamide
CID 106910632
5-methyl-N-[4-(propylaminomethyl)phenyl]furan-2-carboxamide
CID 106910296

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[3-(propylaminomethyl)phenyl]furan-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[3-(propylaminomethyl)phenyl]furan-3-carboxamide (CID 106910635) is 2,5-dimethyl-N-[3-(propylaminomethyl)phenyl]furan-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[3-(propylaminomethyl)phenyl]furan-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[3-(propylaminomethyl)phenyl]furan-3-carboxamide is CCCNCc1cccc(NC(=O)c2cc(C)oc2C)c1.
What is the InChIKey of 2,5-dimethyl-N-[3-(propylaminomethyl)phenyl]furan-3-carboxamide?
The InChIKey is UJMNDRGSDAGQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-4-8-18-11-14-6-5-7-15(10-14)19-17(20)16-9-12(2)21-13(16)3/h5-7,9-10,18H,4,8,11H2,1-3H3,(H,19,20).
What are the key properties of 2,5-dimethyl-N-[3-(propylaminomethyl)phenyl]furan-3-carboxamide?
2,5-dimethyl-N-[3-(propylaminomethyl)phenyl]furan-3-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[3-(propylaminomethyl)phenyl]furan-3-carboxamide is sourced from PubChem (CID 106910635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).