4-amino-N-(1-benzofuran-3-ylmethyl)-N,3-dimethylbutanamide

C15H20N2O2 — CID 115156426

IUPAC4-amino-N-(1-benzofuran-3-ylmethyl)-N,3-dimethylbutanamide
SMILESCC(CN)CC(=O)N(C)Cc1coc2ccccc12
InChIInChI=1S/C15H20N2O2/c1-11(8-16)7-15(18)17(2)9-12-10-19-14-6-4-3-5-13(12)14/h3-6,10-11H,7-9,16H2,1-2H3
InChIKeyQVNMCRIFUPLEEU-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.38
Rot. Bonds5

About 4-amino-N-(1-benzofuran-3-ylmethyl)-N,3-dimethylbutanamide

4-amino-N-(1-benzofuran-3-ylmethyl)-N,3-dimethylbutanamide (PubChem CID 115156426) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-amino-N-(1-benzofuran-3-ylmethyl)-N,3-dimethylbutanamide.

Molecular Properties

Compound Name4-amino-N-(1-benzofuran-3-ylmethyl)-N,3-dimethylbutanamide
PubChem CID115156426
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name4-amino-N-(1-benzofuran-3-ylmethyl)-N,3-dimethylbutanamide
SMILESCC(CN)CC(=O)N(C)Cc1coc2ccccc12
InChIInChI=1S/C15H20N2O2/c1-11(8-16)7-15(18)17(2)9-12-10-19-14-6-4-3-5-13(12)14/h3-6,10-11H,7-9,16H2,1-2H3
InChIKeyQVNMCRIFUPLEEU-UHFFFAOYSA-N
XLogP2.38
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzofuran-3-ylmethyl)-3-hydroxy-N-methylpropanamide
CID 115139234
N-(1-benzofuran-3-ylmethyl)-4-hydroxy-N-methylbutanamide
CID 115163073
4-amino-N-[(2-fluorophenyl)methyl]-N,3-dimethylbutanamide
CID 81070310
2-amino-N-(1-benzofuran-3-ylmethyl)-3-hydroxy-N-methylpropanamide
CID 115180017
N-(1-benzofuran-3-ylmethyl)-2-(ethylamino)-N-methylacetamide
CID 115157997
4-amino-N-[2-(1-benzofuran-3-yl)ethyl]-3-methylbutanamide
CID 115156463
4-amino-1-(1-benzofuran-3-yl)-3-methylbutan-1-one
CID 116916164
2-(1-benzofuran-3-yl)-N-benzyl-N-methylacetamide
CID 110851126
2-amino-N-[2-(1-benzofuran-3-yl)ethyl]-N-methylacetamide
CID 115151779
4-(1-benzofuran-3-yl)-3-methylbutanoic acid
CID 116926807
1-(1-benzofuran-3-yl)-3-methylbutan-2-one
CID 164836556
1-[2-(1-benzofuran-3-yl)ethyl]-1-methylurea
CID 115168716

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-benzofuran-3-ylmethyl)-N,3-dimethylbutanamide?
The IUPAC name of 4-amino-N-(1-benzofuran-3-ylmethyl)-N,3-dimethylbutanamide (CID 115156426) is 4-amino-N-(1-benzofuran-3-ylmethyl)-N,3-dimethylbutanamide.
What is the SMILES notation for 4-amino-N-(1-benzofuran-3-ylmethyl)-N,3-dimethylbutanamide?
The canonical SMILES for 4-amino-N-(1-benzofuran-3-ylmethyl)-N,3-dimethylbutanamide is CC(CN)CC(=O)N(C)Cc1coc2ccccc12.
What is the InChIKey of 4-amino-N-(1-benzofuran-3-ylmethyl)-N,3-dimethylbutanamide?
The InChIKey is QVNMCRIFUPLEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-11(8-16)7-15(18)17(2)9-12-10-19-14-6-4-3-5-13(12)14/h3-6,10-11H,7-9,16H2,1-2H3.
What are the key properties of 4-amino-N-(1-benzofuran-3-ylmethyl)-N,3-dimethylbutanamide?
4-amino-N-(1-benzofuran-3-ylmethyl)-N,3-dimethylbutanamide has a molecular weight of 260.34 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-benzofuran-3-ylmethyl)-N,3-dimethylbutanamide is sourced from PubChem (CID 115156426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).