3-[[[2-(hydroxymethyl)-1,3-dihydroinden-2-yl]amino]methyl]benzamide

C18H20N2O2 — CID 166200250

IUPAC3-[[[2-(hydroxymethyl)-1,3-dihydroinden-2-yl]amino]methyl]benzamide
SMILESNC(=O)c1cccc(CNC2(CO)Cc3ccccc3C2)c1
InChIInChI=1S/C18H20N2O2/c19-17(22)14-7-3-4-13(8-14)11-20-18(12-21)9-15-5-1-2-6-16(15)10-18/h1-8,20-21H,9-12H2,(H2,19,22)
InChIKeyYQHRUSRIBSDGJW-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.40
Rot. Bonds5

About 3-[[[2-(hydroxymethyl)-1,3-dihydroinden-2-yl]amino]methyl]benzamide

3-[[[2-(hydroxymethyl)-1,3-dihydroinden-2-yl]amino]methyl]benzamide (PubChem CID 166200250) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 3-[[[2-(hydroxymethyl)-1,3-dihydroinden-2-yl]amino]methyl]benzamide.

Molecular Properties

Compound Name3-[[[2-(hydroxymethyl)-1,3-dihydroinden-2-yl]amino]methyl]benzamide
PubChem CID166200250
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name3-[[[2-(hydroxymethyl)-1,3-dihydroinden-2-yl]amino]methyl]benzamide
SMILESNC(=O)c1cccc(CNC2(CO)Cc3ccccc3C2)c1
InChIInChI=1S/C18H20N2O2/c19-17(22)14-7-3-4-13(8-14)11-20-18(12-21)9-15-5-1-2-6-16(15)10-18/h1-8,20-21H,9-12H2,(H2,19,22)
InChIKeyYQHRUSRIBSDGJW-UHFFFAOYSA-N
XLogP1.40
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(1-methylcyclopropyl)amino]methyl]benzamide
CID 115635058
1-[(3-carbamoylphenyl)methylamino]cyclobutane-1-carboxylic acid
CID 81167287
3-benzylbenzamide;hydrochloride
CID 159409318
3-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]benzamide
CID 115358989
3-[(carbamoylamino)methyl]benzamide
CID 166184789
N'-hydroxy-3-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]benzenecarboximidamide
CID 77028030
3-[[[1-(aminomethyl)cyclopropanecarbonyl]amino]methyl]benzamide
CID 115453144
3-[[(3-phenylcyclobutyl)amino]methyl]benzamide
CID 43664689
3-[(3-carbamoylphenyl)methylamino]propanoic acid
CID 43466251
4-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]benzamide
CID 62522600
3-[[[(1S)-1-phenylethyl]amino]methyl]benzamide
CID 28564891
3-[[(3-amino-2-hydroxy-3-oxopropyl)amino]methyl]benzamide
CID 114153512

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-(hydroxymethyl)-1,3-dihydroinden-2-yl]amino]methyl]benzamide?
The IUPAC name of 3-[[[2-(hydroxymethyl)-1,3-dihydroinden-2-yl]amino]methyl]benzamide (CID 166200250) is 3-[[[2-(hydroxymethyl)-1,3-dihydroinden-2-yl]amino]methyl]benzamide.
What is the SMILES notation for 3-[[[2-(hydroxymethyl)-1,3-dihydroinden-2-yl]amino]methyl]benzamide?
The canonical SMILES for 3-[[[2-(hydroxymethyl)-1,3-dihydroinden-2-yl]amino]methyl]benzamide is NC(=O)c1cccc(CNC2(CO)Cc3ccccc3C2)c1.
What is the InChIKey of 3-[[[2-(hydroxymethyl)-1,3-dihydroinden-2-yl]amino]methyl]benzamide?
The InChIKey is YQHRUSRIBSDGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c19-17(22)14-7-3-4-13(8-14)11-20-18(12-21)9-15-5-1-2-6-16(15)10-18/h1-8,20-21H,9-12H2,(H2,19,22).
What are the key properties of 3-[[[2-(hydroxymethyl)-1,3-dihydroinden-2-yl]amino]methyl]benzamide?
3-[[[2-(hydroxymethyl)-1,3-dihydroinden-2-yl]amino]methyl]benzamide has a molecular weight of 296.37 g/mol, XLogP of 1.40, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-(hydroxymethyl)-1,3-dihydroinden-2-yl]amino]methyl]benzamide is sourced from PubChem (CID 166200250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).