4-[[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]methyl]benzamide

C19H22N2O2 — CID 166194548

IUPAC4-[[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]methyl]benzamide
SMILESNC(=O)c1ccc(CN(CCO)C2CCc3ccccc32)cc1
InChIInChI=1S/C19H22N2O2/c20-19(23)16-7-5-14(6-8-16)13-21(11-12-22)18-10-9-15-3-1-2-4-17(15)18/h1-8,18,22H,9-13H2,(H2,20,23)
InChIKeyOJMBXOGPYRWBOU-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.27
Rot. Bonds6

About 4-[[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]methyl]benzamide

4-[[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]methyl]benzamide (PubChem CID 166194548) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 4-[[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]methyl]benzamide.

Molecular Properties

Compound Name4-[[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]methyl]benzamide
PubChem CID166194548
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name4-[[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]methyl]benzamide
SMILESNC(=O)c1ccc(CN(CCO)C2CCc3ccccc32)cc1
InChIInChI=1S/C19H22N2O2/c20-19(23)16-7-5-14(6-8-16)13-21(11-12-22)18-10-9-15-3-1-2-4-17(15)18/h1-8,18,22H,9-13H2,(H2,20,23)
InChIKeyOJMBXOGPYRWBOU-UHFFFAOYSA-N
XLogP2.27
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-benzyl-N'-(2,3-dihydro-1H-inden-1-yl)ethane-1,2-diamine
CID 106511136
3-[2,3-dihydro-1H-inden-1-yl(3-hydroxypropyl)amino]propan-1-ol
CID 111333724
2-[2,3-dihydro-1H-inden-1-yl-[(3-methoxy-4-nitrophenyl)methyl]amino]ethanol
CID 110009206
N-[3-[[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]phenyl]acetamide
CID 111333629
2-[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]-N-propan-2-ylacetamide
CID 111333591
2-[2,3-dihydro-1H-inden-1-yl(imidazo[1,2-a]pyridin-2-ylmethyl)amino]ethanol
CID 111333542
tert-butyl 3-[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]propanoate
CID 111799360
2-[2,3-dihydro-1H-inden-1-yl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol
CID 111333577
(1R)-2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-(2-hydroxyethyl)amino]-1-phenylethanol
CID 95627737
2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-(2-hydroxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 95322140
2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]amino]ethanol
CID 96547859
4-[(4-carbamoylphenyl)methyl-cyclopropylamino]butanoic acid
CID 119134489

Frequently Asked Questions

What is the IUPAC name of 4-[[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]methyl]benzamide?
The IUPAC name of 4-[[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]methyl]benzamide (CID 166194548) is 4-[[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]methyl]benzamide.
What is the SMILES notation for 4-[[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]methyl]benzamide?
The canonical SMILES for 4-[[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]methyl]benzamide is NC(=O)c1ccc(CN(CCO)C2CCc3ccccc32)cc1.
What is the InChIKey of 4-[[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]methyl]benzamide?
The InChIKey is OJMBXOGPYRWBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c20-19(23)16-7-5-14(6-8-16)13-21(11-12-22)18-10-9-15-3-1-2-4-17(15)18/h1-8,18,22H,9-13H2,(H2,20,23).
What are the key properties of 4-[[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]methyl]benzamide?
4-[[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]methyl]benzamide has a molecular weight of 310.40 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]methyl]benzamide is sourced from PubChem (CID 166194548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).