2-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]-N-(2-methylpropyl)acetamide

C16H24N2O2 — CID 115900436

IUPAC2-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CNC(C)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H24N2O2/c1-11(2)9-18-16(19)10-17-12(3)13-4-5-15-14(8-13)6-7-20-15/h4-5,8,11-12,17H,6-7,9-10H2,1-3H3,(H,18,19)
InChIKeyQMEZEPFOXVXNAE-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.04
Rot. Bonds6

About 2-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]-N-(2-methylpropyl)acetamide

2-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]-N-(2-methylpropyl)acetamide (PubChem CID 115900436) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]-N-(2-methylpropyl)acetamide
PubChem CID115900436
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CNC(C)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H24N2O2/c1-11(2)9-18-16(19)10-17-12(3)13-4-5-15-14(8-13)6-7-20-15/h4-5,8,11-12,17H,6-7,9-10H2,1-3H3,(H,18,19)
InChIKeyQMEZEPFOXVXNAE-UHFFFAOYSA-N
XLogP2.04
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]acetamide
CID 43754741
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-3-methylbutanamide
CID 90580682
N-[2-[[(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]amino]-2-oxoethyl]prop-2-enamide
CID 166411557
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-ethylbutan-1-amine
CID 115718022
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methylsulfinylpropan-1-amine
CID 115896124
2-[1-(4-tert-butylphenyl)ethylamino]-N-(2-methylpropyl)acetamide
CID 115663692
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2-methylpropan-1-amine
CID 43756451
2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-N-(2-methylpropyl)acetamide
CID 81382464
2-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]propanamide
CID 43777118
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-methylpentan-2-amine
CID 43775759
2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-N-prop-2-enylacetamide
CID 47007130
methyl (2R)-2-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-(2,3-dihydro-1-benzofuran-5-yl)acetate
CID 125143182

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]-N-(2-methylpropyl)acetamide (CID 115900436) is 2-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)CNC(C)c1ccc2c(c1)CCO2.
What is the InChIKey of 2-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]-N-(2-methylpropyl)acetamide?
The InChIKey is QMEZEPFOXVXNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11(2)9-18-16(19)10-17-12(3)13-4-5-15-14(8-13)6-7-20-15/h4-5,8,11-12,17H,6-7,9-10H2,1-3H3,(H,18,19).
What are the key properties of 2-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]-N-(2-methylpropyl)acetamide?
2-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]-N-(2-methylpropyl)acetamide has a molecular weight of 276.38 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 115900436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).