2-[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]-N-(furan-2-ylmethyl)acetamide

C18H22N2O3 — CID 111332276

IUPAC2-[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CN(CCO)C1CCc2ccccc21)NCc1ccco1
InChIInChI=1S/C18H22N2O3/c21-10-9-20(13-18(22)19-12-15-5-3-11-23-15)17-8-7-14-4-1-2-6-16(14)17/h1-6,11,17,21H,7-10,12-13H2,(H,19,22)
InChIKeyXFAYXOSKKKYUDK-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.88
Rot. Bonds7

About 2-[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]-N-(furan-2-ylmethyl)acetamide

2-[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]-N-(furan-2-ylmethyl)acetamide (PubChem CID 111332276) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]-N-(furan-2-ylmethyl)acetamide
PubChem CID111332276
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name2-[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CN(CCO)C1CCc2ccccc21)NCc1ccco1
InChIInChI=1S/C18H22N2O3/c21-10-9-20(13-18(22)19-12-15-5-3-11-23-15)17-8-7-14-4-1-2-6-16(14)17/h1-6,11,17,21H,7-10,12-13H2,(H,19,22)
InChIKeyXFAYXOSKKKYUDK-UHFFFAOYSA-N
XLogP1.88
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-(2-hydroxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 95322140
2-[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]-N-propan-2-ylacetamide
CID 111333591
N-[(1R)-1-(furan-2-yl)ethyl]-2-[2-hydroxyethyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
CID 95325971
2-[bis(2-hydroxyethyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 60686494
3-[cyclopentyl-[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]propanoic acid
CID 82326863
1-(2,3-dihydro-1H-inden-1-yl)-3-(furan-2-ylmethyl)urea
CID 47127905
2-[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]-N-(2,5-dimethylphenyl)acetamide
CID 111333592
2-[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 111436327
3-[2,3-dihydro-1H-inden-1-yl(3-hydroxypropyl)amino]propan-1-ol
CID 111333724
N-(furan-2-ylmethyl)-2-[5-hydroxypentyl(methyl)amino]acetamide
CID 113230347
2-[butyl(2-hydroxyethyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 60689402
N-(furan-2-ylmethyl)-3,4-dihydro-1H-isochromene-1-carboxamide
CID 2969137

Frequently Asked Questions

What is the IUPAC name of 2-[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]-N-(furan-2-ylmethyl)acetamide (CID 111332276) is 2-[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]-N-(furan-2-ylmethyl)acetamide is O=C(CN(CCO)C1CCc2ccccc21)NCc1ccco1.
What is the InChIKey of 2-[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is XFAYXOSKKKYUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c21-10-9-20(13-18(22)19-12-15-5-3-11-23-15)17-8-7-14-4-1-2-6-16(14)17/h1-6,11,17,21H,7-10,12-13H2,(H,19,22).
What are the key properties of 2-[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]-N-(furan-2-ylmethyl)acetamide?
2-[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 314.39 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 111332276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).