N-benzyl-4-[[5-(hydroxymethyl)-1,3-dihydroisoindol-2-yl]methyl]benzamide

C24H24N2O2 — CID 11268773

IUPACN-benzyl-4-[[5-(hydroxymethyl)-1,3-dihydroisoindol-2-yl]methyl]benzamide
SMILESO=C(NCc1ccccc1)c1ccc(CN2Cc3ccc(CO)cc3C2)cc1
InChIInChI=1S/C24H24N2O2/c27-17-20-8-11-22-15-26(16-23(22)12-20)14-19-6-9-21(10-7-19)24(28)25-13-18-4-2-1-3-5-18/h1-12,27H,13-17H2,(H,25,28)
InChIKeySOVQNYYCHDAQGO-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.62
Rot. Bonds6

About N-benzyl-4-[[5-(hydroxymethyl)-1,3-dihydroisoindol-2-yl]methyl]benzamide

N-benzyl-4-[[5-(hydroxymethyl)-1,3-dihydroisoindol-2-yl]methyl]benzamide (PubChem CID 11268773) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-benzyl-4-[[5-(hydroxymethyl)-1,3-dihydroisoindol-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-benzyl-4-[[5-(hydroxymethyl)-1,3-dihydroisoindol-2-yl]methyl]benzamide
PubChem CID11268773
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC NameN-benzyl-4-[[5-(hydroxymethyl)-1,3-dihydroisoindol-2-yl]methyl]benzamide
SMILESO=C(NCc1ccccc1)c1ccc(CN2Cc3ccc(CO)cc3C2)cc1
InChIInChI=1S/C24H24N2O2/c27-17-20-8-11-22-15-26(16-23(22)12-20)14-19-6-9-21(10-7-19)24(28)25-13-18-4-2-1-3-5-18/h1-12,27H,13-17H2,(H,25,28)
InChIKeySOVQNYYCHDAQGO-UHFFFAOYSA-N
XLogP3.62
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 4125778
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N-benzyl-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 43918767
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4-(piperidin-1-ylmethyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 24654968
N-benzyl-4-[5-(4-methylphenyl)-1,3-dihydroisoindol-2-yl]benzamide
CID 101119237
4-(aminomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 103796375
N-benzyl-4-[4-(benzylcarbamoyl)benzoyl]benzamide
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4-benzyl-N-[(4-fluorophenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine-7-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[[5-(hydroxymethyl)-1,3-dihydroisoindol-2-yl]methyl]benzamide?
The IUPAC name of N-benzyl-4-[[5-(hydroxymethyl)-1,3-dihydroisoindol-2-yl]methyl]benzamide (CID 11268773) is N-benzyl-4-[[5-(hydroxymethyl)-1,3-dihydroisoindol-2-yl]methyl]benzamide.
What is the SMILES notation for N-benzyl-4-[[5-(hydroxymethyl)-1,3-dihydroisoindol-2-yl]methyl]benzamide?
The canonical SMILES for N-benzyl-4-[[5-(hydroxymethyl)-1,3-dihydroisoindol-2-yl]methyl]benzamide is O=C(NCc1ccccc1)c1ccc(CN2Cc3ccc(CO)cc3C2)cc1.
What is the InChIKey of N-benzyl-4-[[5-(hydroxymethyl)-1,3-dihydroisoindol-2-yl]methyl]benzamide?
The InChIKey is SOVQNYYCHDAQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2/c27-17-20-8-11-22-15-26(16-23(22)12-20)14-19-6-9-21(10-7-19)24(28)25-13-18-4-2-1-3-5-18/h1-12,27H,13-17H2,(H,25,28).
What are the key properties of N-benzyl-4-[[5-(hydroxymethyl)-1,3-dihydroisoindol-2-yl]methyl]benzamide?
N-benzyl-4-[[5-(hydroxymethyl)-1,3-dihydroisoindol-2-yl]methyl]benzamide has a molecular weight of 372.47 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[[5-(hydroxymethyl)-1,3-dihydroisoindol-2-yl]methyl]benzamide is sourced from PubChem (CID 11268773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).