4-amino-N-[2-(1-benzofuran-3-yl)ethyl]-3-methylbutanamide

C15H20N2O2 — CID 115156463

IUPAC4-amino-N-[2-(1-benzofuran-3-yl)ethyl]-3-methylbutanamide
SMILESCC(CN)CC(=O)NCCc1coc2ccccc12
InChIInChI=1S/C15H20N2O2/c1-11(9-16)8-15(18)17-7-6-12-10-19-14-5-3-2-4-13(12)14/h2-5,10-11H,6-9,16H2,1H3,(H,17,18)
InChIKeyYJZNHUZLFZWVPN-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.08
Rot. Bonds6

About 4-amino-N-[2-(1-benzofuran-3-yl)ethyl]-3-methylbutanamide

4-amino-N-[2-(1-benzofuran-3-yl)ethyl]-3-methylbutanamide (PubChem CID 115156463) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-amino-N-[2-(1-benzofuran-3-yl)ethyl]-3-methylbutanamide.

Molecular Properties

Compound Name4-amino-N-[2-(1-benzofuran-3-yl)ethyl]-3-methylbutanamide
PubChem CID115156463
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name4-amino-N-[2-(1-benzofuran-3-yl)ethyl]-3-methylbutanamide
SMILESCC(CN)CC(=O)NCCc1coc2ccccc12
InChIInChI=1S/C15H20N2O2/c1-11(9-16)8-15(18)17-7-6-12-10-19-14-5-3-2-4-13(12)14/h2-5,10-11H,6-9,16H2,1H3,(H,17,18)
InChIKeyYJZNHUZLFZWVPN-UHFFFAOYSA-N
XLogP2.08
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1-benzofuran-3-yl)ethyl]-2-hydroxypropanamide
CID 115140987
4-amino-3-methyl-N-(2-phenylethyl)butanamide
CID 81070116
4-amino-N-(1-benzofuran-3-ylmethyl)-N,3-dimethylbutanamide
CID 115156426
4-amino-N-[2-(2-methoxyphenyl)ethyl]-3-methylbutanamide
CID 113266036
4-(1-benzofuran-3-ylmethylamino)-2-methyl-4-oxobutanoic acid
CID 115165103
ethyl 2-[2-(1-benzofuran-3-yl)ethylamino]-2-oxoacetate
CID 115142072
N-[2-(1-benzofuran-3-yl)ethyl]-2-(hydroxymethyl)butanamide
CID 115186726
4-amino-1-(1-benzofuran-3-yl)-3-methylbutan-1-one
CID 116916164
N-[2-(1-benzofuran-3-yl)ethyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide
CID 115182419
4-(1-benzofuran-3-yl)-3-methylbutanoic acid
CID 116926807
4-amino-N-[(2-ethylphenyl)methyl]-3-methylbutanamide
CID 81079151
N-[2-(1-benzofuran-3-yl)ethyl]-N'-[(3-methoxyphenyl)methyl]propanediamide
CID 174143781

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(1-benzofuran-3-yl)ethyl]-3-methylbutanamide?
The IUPAC name of 4-amino-N-[2-(1-benzofuran-3-yl)ethyl]-3-methylbutanamide (CID 115156463) is 4-amino-N-[2-(1-benzofuran-3-yl)ethyl]-3-methylbutanamide.
What is the SMILES notation for 4-amino-N-[2-(1-benzofuran-3-yl)ethyl]-3-methylbutanamide?
The canonical SMILES for 4-amino-N-[2-(1-benzofuran-3-yl)ethyl]-3-methylbutanamide is CC(CN)CC(=O)NCCc1coc2ccccc12.
What is the InChIKey of 4-amino-N-[2-(1-benzofuran-3-yl)ethyl]-3-methylbutanamide?
The InChIKey is YJZNHUZLFZWVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-11(9-16)8-15(18)17-7-6-12-10-19-14-5-3-2-4-13(12)14/h2-5,10-11H,6-9,16H2,1H3,(H,17,18).
What are the key properties of 4-amino-N-[2-(1-benzofuran-3-yl)ethyl]-3-methylbutanamide?
4-amino-N-[2-(1-benzofuran-3-yl)ethyl]-3-methylbutanamide has a molecular weight of 260.34 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(1-benzofuran-3-yl)ethyl]-3-methylbutanamide is sourced from PubChem (CID 115156463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).