2-[butyl(2-hydroxyethyl)amino]-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone

C16H23NO3 — CID 61444799

IUPAC2-[butyl(2-hydroxyethyl)amino]-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone
SMILESCCCCN(CCO)CC(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H23NO3/c1-2-3-7-17(8-9-18)12-15(19)13-4-5-16-14(11-13)6-10-20-16/h4-5,11,18H,2-3,6-10,12H2,1H3
InChIKeyXMSROLWJIFMKRP-UHFFFAOYSA-N
MW277.36 g/mol
LogP1.90
Rot. Bonds8

About 2-[butyl(2-hydroxyethyl)amino]-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone

2-[butyl(2-hydroxyethyl)amino]-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone (PubChem CID 61444799) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 2-[butyl(2-hydroxyethyl)amino]-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone.

Molecular Properties

Compound Name2-[butyl(2-hydroxyethyl)amino]-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone
PubChem CID61444799
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name2-[butyl(2-hydroxyethyl)amino]-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone
SMILESCCCCN(CCO)CC(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H23NO3/c1-2-3-7-17(8-9-18)12-15(19)13-4-5-16-14(11-13)6-10-20-16/h4-5,11,18H,2-3,6-10,12H2,1H3
InChIKeyXMSROLWJIFMKRP-UHFFFAOYSA-N
XLogP1.90
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydro-1-benzofuran-5-yl)undecan-1-one
CID 102469747
1-(2,3-dihydro-1-benzofuran-5-yl)-3-ethylheptan-1-one
CID 114963747
2-[[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 61453131
1-(3,4-dihydro-2H-chromen-6-yl)pentan-1-one
CID 61027347
2-[butyl(2-hydroxyethyl)amino]-1-(3-methylphenyl)ethanone
CID 62052086
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(propylamino)ethanone
CID 116562848
2-(dibutylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone
CID 82256325
2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 676583
N-butyl-N-methyl-3,4-dihydro-2H-chromene-6-carboxamide
CID 110693378
2-[2,3-dihydro-1-benzofuran-5-carbonyl(propyl)amino]acetic acid
CID 61013012
methyl 3-(2,3-dihydro-1-benzofuran-5-yl)-3-oxopropanoate
CID 70925454
3-(2,3-dihydro-1-benzofuran-5-yl)-3-oxopropanal
CID 116821577

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(2-hydroxyethyl)amino]-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone?
The IUPAC name of 2-[butyl(2-hydroxyethyl)amino]-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone (CID 61444799) is 2-[butyl(2-hydroxyethyl)amino]-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone.
What is the SMILES notation for 2-[butyl(2-hydroxyethyl)amino]-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone?
The canonical SMILES for 2-[butyl(2-hydroxyethyl)amino]-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone is CCCCN(CCO)CC(=O)c1ccc2c(c1)CCO2.
What is the InChIKey of 2-[butyl(2-hydroxyethyl)amino]-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone?
The InChIKey is XMSROLWJIFMKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-2-3-7-17(8-9-18)12-15(19)13-4-5-16-14(11-13)6-10-20-16/h4-5,11,18H,2-3,6-10,12H2,1H3.
What are the key properties of 2-[butyl(2-hydroxyethyl)amino]-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone?
2-[butyl(2-hydroxyethyl)amino]-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone has a molecular weight of 277.36 g/mol, XLogP of 1.90, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(2-hydroxyethyl)amino]-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone is sourced from PubChem (CID 61444799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).