3-[(7-methoxy-1-benzofuran-2-yl)methylamino]-N,N-dimethylpropanamide

C15H20N2O3 — CID 60925397

IUPAC3-[(7-methoxy-1-benzofuran-2-yl)methylamino]-N,N-dimethylpropanamide
SMILESCOc1cccc2cc(CNCCC(=O)N(C)C)oc12
InChIInChI=1S/C15H20N2O3/c1-17(2)14(18)7-8-16-10-12-9-11-5-4-6-13(19-3)15(11)20-12/h4-6,9,16H,7-8,10H2,1-3H3
InChIKeyPGHDDDRZYRTJFX-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.01
Rot. Bonds6

About 3-[(7-methoxy-1-benzofuran-2-yl)methylamino]-N,N-dimethylpropanamide

3-[(7-methoxy-1-benzofuran-2-yl)methylamino]-N,N-dimethylpropanamide (PubChem CID 60925397) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-[(7-methoxy-1-benzofuran-2-yl)methylamino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[(7-methoxy-1-benzofuran-2-yl)methylamino]-N,N-dimethylpropanamide
PubChem CID60925397
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name3-[(7-methoxy-1-benzofuran-2-yl)methylamino]-N,N-dimethylpropanamide
SMILESCOc1cccc2cc(CNCCC(=O)N(C)C)oc12
InChIInChI=1S/C15H20N2O3/c1-17(2)14(18)7-8-16-10-12-9-11-5-4-6-13(19-3)15(11)20-12/h4-6,9,16H,7-8,10H2,1-3H3
InChIKeyPGHDDDRZYRTJFX-UHFFFAOYSA-N
XLogP2.01
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(7-methoxy-1-benzofuran-2-yl)methylamino]butanoic acid
CID 60782962
methyl 2-[(7-methoxy-1-benzofuran-2-yl)methylamino]acetate
CID 43756848
N'-[(7-methoxy-1-benzofuran-2-yl)methyl]ethane-1,2-diamine
CID 19886076
N-[2-[(7-methoxy-1-benzofuran-2-yl)methylamino]ethyl]methanesulfonamide
CID 43771801
1-cyclopentyl-N-[(7-methoxy-1-benzofuran-2-yl)methyl]methanamine
CID 43432532
2-butoxy-N-[(7-methoxy-1-benzofuran-2-yl)methyl]ethanamine
CID 61169329
N-methoxy-1-(7-methoxy-1-benzofuran-2-yl)methanamine
CID 82707164
1-[(7-methoxy-1-benzofuran-2-yl)methylamino]-3-methylbutan-2-ol
CID 115630665
2-(3-fluorophenyl)-N-[(7-methoxy-1-benzofuran-2-yl)methyl]ethanamine
CID 55410255
N-[(7-ethoxy-1-benzofuran-2-yl)methyl]ethanamine
CID 65440347
methyl 2-[(7-methoxy-1-benzofuran-2-yl)methylamino]-3-methylbutanoate
CID 60781620
1-[(7-methoxy-1-benzofuran-2-yl)methylamino]pentan-2-ol
CID 115623289

Frequently Asked Questions

What is the IUPAC name of 3-[(7-methoxy-1-benzofuran-2-yl)methylamino]-N,N-dimethylpropanamide?
The IUPAC name of 3-[(7-methoxy-1-benzofuran-2-yl)methylamino]-N,N-dimethylpropanamide (CID 60925397) is 3-[(7-methoxy-1-benzofuran-2-yl)methylamino]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[(7-methoxy-1-benzofuran-2-yl)methylamino]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[(7-methoxy-1-benzofuran-2-yl)methylamino]-N,N-dimethylpropanamide is COc1cccc2cc(CNCCC(=O)N(C)C)oc12.
What is the InChIKey of 3-[(7-methoxy-1-benzofuran-2-yl)methylamino]-N,N-dimethylpropanamide?
The InChIKey is PGHDDDRZYRTJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-17(2)14(18)7-8-16-10-12-9-11-5-4-6-13(19-3)15(11)20-12/h4-6,9,16H,7-8,10H2,1-3H3.
What are the key properties of 3-[(7-methoxy-1-benzofuran-2-yl)methylamino]-N,N-dimethylpropanamide?
3-[(7-methoxy-1-benzofuran-2-yl)methylamino]-N,N-dimethylpropanamide has a molecular weight of 276.34 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(7-methoxy-1-benzofuran-2-yl)methylamino]-N,N-dimethylpropanamide is sourced from PubChem (CID 60925397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).