4-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylpentanamide

C15H22N2O2 — CID 115156754

IUPAC4-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylpentanamide
SMILESCC(N)CCC(=O)N(C)Cc1ccc2c(c1)CCO2
InChIInChI=1S/C15H22N2O2/c1-11(16)3-6-15(18)17(2)10-12-4-5-14-13(9-12)7-8-19-14/h4-5,9,11H,3,6-8,10,16H2,1-2H3
InChIKeyFCXFEIBXHZAEJE-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.71
Rot. Bonds5

About 4-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylpentanamide

4-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylpentanamide (PubChem CID 115156754) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 4-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylpentanamide.

Molecular Properties

Compound Name4-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylpentanamide
PubChem CID115156754
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name4-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylpentanamide
SMILESCC(N)CCC(=O)N(C)Cc1ccc2c(c1)CCO2
InChIInChI=1S/C15H22N2O2/c1-11(16)3-6-15(18)17(2)10-12-4-5-14-13(9-12)7-8-19-14/h4-5,9,11H,3,6-8,10,16H2,1-2H3
InChIKeyFCXFEIBXHZAEJE-UHFFFAOYSA-N
XLogP1.71
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylacetamide
CID 115151665
6-amino-1-(2,3-dihydro-1-benzofuran-5-yl)heptan-3-one
CID 116571723
4-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-methylpentanamide;hydrochloride
CID 120559274
3-[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]-2-methyl-3-oxopropanoic acid
CID 115164320
3-[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]-3-oxopropanoic acid
CID 115163484
4-amino-1-(2,3-dihydro-1-benzofuran-5-yl)pentan-3-one
CID 116551761
N'-(3,4-dihydro-2H-chromen-6-ylmethyl)-N'-methyloxamide
CID 115191993
4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfonyl]butan-2-amine
CID 81195482
4-[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]-3-methylbutanoic acid
CID 115220019
2-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-N,3-dimethylbutane-1,2-diamine
CID 115138234
4-amino-1-(2,3-dihydro-1-benzofuran-5-yl)-6-methylheptan-3-one
CID 116553577
[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]methanol
CID 115229208

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylpentanamide?
The IUPAC name of 4-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylpentanamide (CID 115156754) is 4-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylpentanamide.
What is the SMILES notation for 4-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylpentanamide?
The canonical SMILES for 4-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylpentanamide is CC(N)CCC(=O)N(C)Cc1ccc2c(c1)CCO2.
What is the InChIKey of 4-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylpentanamide?
The InChIKey is FCXFEIBXHZAEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11(16)3-6-15(18)17(2)10-12-4-5-14-13(9-12)7-8-19-14/h4-5,9,11H,3,6-8,10,16H2,1-2H3.
What are the key properties of 4-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylpentanamide?
4-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylpentanamide has a molecular weight of 262.35 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylpentanamide is sourced from PubChem (CID 115156754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).