2-[(2-aminophenyl)methyl-methylamino]-N-(furan-2-ylmethyl)propanamide

C16H21N3O2 — CID 43458642

IUPAC2-[(2-aminophenyl)methyl-methylamino]-N-(furan-2-ylmethyl)propanamide
SMILESCC(C(=O)NCc1ccco1)N(C)Cc1ccccc1N
InChIInChI=1S/C16H21N3O2/c1-12(16(20)18-10-14-7-5-9-21-14)19(2)11-13-6-3-4-8-15(13)17/h3-9,12H,10-11,17H2,1-2H3,(H,18,20)
InChIKeyAGKXSUTVYNFPCN-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.00
Rot. Bonds6

About 2-[(2-aminophenyl)methyl-methylamino]-N-(furan-2-ylmethyl)propanamide

2-[(2-aminophenyl)methyl-methylamino]-N-(furan-2-ylmethyl)propanamide (PubChem CID 43458642) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[(2-aminophenyl)methyl-methylamino]-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-[(2-aminophenyl)methyl-methylamino]-N-(furan-2-ylmethyl)propanamide
PubChem CID43458642
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-[(2-aminophenyl)methyl-methylamino]-N-(furan-2-ylmethyl)propanamide
SMILESCC(C(=O)NCc1ccco1)N(C)Cc1ccccc1N
InChIInChI=1S/C16H21N3O2/c1-12(16(20)18-10-14-7-5-9-21-14)19(2)11-13-6-3-4-8-15(13)17/h3-9,12H,10-11,17H2,1-2H3,(H,18,20)
InChIKeyAGKXSUTVYNFPCN-UHFFFAOYSA-N
XLogP2.00
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(2-aminophenyl)methyl-methylamino]-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

2-[2-aminoethyl(methyl)amino]-N-(furan-2-ylmethyl)propanamide
CID 61348725
N-(2-aminophenyl)-2-[furan-2-ylmethyl(methyl)amino]propanamide
CID 43526612
2-[acetyl(benzyl)amino]-N-(furan-2-ylmethyl)propanamide
CID 133148522
2-[2-(2-aminophenyl)ethoxy]-N-(furan-2-ylmethyl)propanamide
CID 102902392
(2R)-N-(furan-2-ylmethyl)-2-hydroxypropanamide
CID 93242884
(2S)-N-(furan-2-ylmethyl)-3-methyl-2-(2-methylpropanoylamino)butanamide
CID 110349165
3-(furan-2-ylmethyl)-1-methyl-1-[(1S)-1-phenylethyl]urea
CID 51729179
N-benzyl-N-[1-(furan-2-ylmethylamino)-1-oxo-3-phenylpropan-2-yl]-2-methylpropanamide
CID 133214091
N-(2-aminophenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]propanamide
CID 61426661
N-(furan-2-ylmethyl)-2-[2-[methyl(3-methylbutyl)amino]propanoylamino]benzamide
CID 87018409
N-(furan-2-ylmethyl)-2-[2-[methyl(propan-2-yl)amino]ethylamino]propanamide
CID 62639953
2-[[2-(dimethylamino)-2-methylpropyl]amino]-N-(furan-2-ylmethyl)propanamide
CID 54940460

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminophenyl)methyl-methylamino]-N-(furan-2-ylmethyl)propanamide?
The IUPAC name of 2-[(2-aminophenyl)methyl-methylamino]-N-(furan-2-ylmethyl)propanamide (CID 43458642) is 2-[(2-aminophenyl)methyl-methylamino]-N-(furan-2-ylmethyl)propanamide.
What is the SMILES notation for 2-[(2-aminophenyl)methyl-methylamino]-N-(furan-2-ylmethyl)propanamide?
The canonical SMILES for 2-[(2-aminophenyl)methyl-methylamino]-N-(furan-2-ylmethyl)propanamide is CC(C(=O)NCc1ccco1)N(C)Cc1ccccc1N.
What is the InChIKey of 2-[(2-aminophenyl)methyl-methylamino]-N-(furan-2-ylmethyl)propanamide?
The InChIKey is AGKXSUTVYNFPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-12(16(20)18-10-14-7-5-9-21-14)19(2)11-13-6-3-4-8-15(13)17/h3-9,12H,10-11,17H2,1-2H3,(H,18,20).
What are the key properties of 2-[(2-aminophenyl)methyl-methylamino]-N-(furan-2-ylmethyl)propanamide?
2-[(2-aminophenyl)methyl-methylamino]-N-(furan-2-ylmethyl)propanamide has a molecular weight of 287.36 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminophenyl)methyl-methylamino]-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 43458642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).