N-(2-benzyl-1,3-dihydroisoindol-5-yl)acetamide

C17H18N2O — CID 15167888

IUPACN-(2-benzyl-1,3-dihydroisoindol-5-yl)acetamide
SMILESCC(=O)Nc1ccc2c(c1)CN(Cc1ccccc1)C2
InChIInChI=1S/C17H18N2O/c1-13(20)18-17-8-7-15-11-19(12-16(15)9-17)10-14-5-3-2-4-6-14/h2-9H,10-12H2,1H3,(H,18,20)
InChIKeyXHRIKOZIPPKTDG-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.16
Rot. Bonds3

About N-(2-benzyl-1,3-dihydroisoindol-5-yl)acetamide

N-(2-benzyl-1,3-dihydroisoindol-5-yl)acetamide (PubChem CID 15167888) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is N-(2-benzyl-1,3-dihydroisoindol-5-yl)acetamide.

Molecular Properties

Compound NameN-(2-benzyl-1,3-dihydroisoindol-5-yl)acetamide
PubChem CID15167888
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC NameN-(2-benzyl-1,3-dihydroisoindol-5-yl)acetamide
SMILESCC(=O)Nc1ccc2c(c1)CN(Cc1ccccc1)C2
InChIInChI=1S/C17H18N2O/c1-13(20)18-17-8-7-15-11-19(12-16(15)9-17)10-14-5-3-2-4-6-14/h2-9H,10-12H2,1H3,(H,18,20)
InChIKeyXHRIKOZIPPKTDG-UHFFFAOYSA-N
XLogP3.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-benzyl-1,3-dihydroisoindol-5-yl)-3-(3-chloro-4-methylphenyl)urea
CID 46389874
1-(2-benzyl-1,3-dihydroisoindol-5-yl)-3-(3-bromophenyl)urea
CID 46389889
1-(2-benzyl-1,3-dihydroisoindol-5-yl)-3-(2,5-dimethylphenyl)urea
CID 46389876
N-(2-benzyl-1,3-dihydroisoindol-5-yl)-2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetamide
CID 46981546
N-(2-benzyl-1,3-dihydroisoindol-5-yl)formamide
CID 168652594
N-(2-benzyl-1,3-dihydroisoindol-5-yl)-3-[(4,6-dimethylpyrimidin-2-yl)amino]propanamide
CID 46980658
1,1-dimethyl-3-[2-(2-phenylethyl)-1,3-dihydroisoindol-5-yl]urea
CID 110443867
N-[2-[2-(3-chlorophenyl)ethyl]-3,4-dihydro-1H-isoquinolin-6-yl]acetamide;hydrochloride
CID 155978271
N-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)acetamide
CID 110459252
N-(1-benzyl-6-oxo-3-pyridinyl)acetamide
CID 167759496
1-benzyl-2-methyl-N-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)azetidine-2-carboxamide
CID 69174075
ethyl 5-amino-1-[4-[(2-benzyl-1,3-dihydroisoindol-5-yl)carbamoyl]phenyl]pyrazole-4-carboxylate
CID 46363466

Frequently Asked Questions

What is the IUPAC name of N-(2-benzyl-1,3-dihydroisoindol-5-yl)acetamide?
The IUPAC name of N-(2-benzyl-1,3-dihydroisoindol-5-yl)acetamide (CID 15167888) is N-(2-benzyl-1,3-dihydroisoindol-5-yl)acetamide.
What is the SMILES notation for N-(2-benzyl-1,3-dihydroisoindol-5-yl)acetamide?
The canonical SMILES for N-(2-benzyl-1,3-dihydroisoindol-5-yl)acetamide is CC(=O)Nc1ccc2c(c1)CN(Cc1ccccc1)C2.
What is the InChIKey of N-(2-benzyl-1,3-dihydroisoindol-5-yl)acetamide?
The InChIKey is XHRIKOZIPPKTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-13(20)18-17-8-7-15-11-19(12-16(15)9-17)10-14-5-3-2-4-6-14/h2-9H,10-12H2,1H3,(H,18,20).
What are the key properties of N-(2-benzyl-1,3-dihydroisoindol-5-yl)acetamide?
N-(2-benzyl-1,3-dihydroisoindol-5-yl)acetamide has a molecular weight of 266.34 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzyl-1,3-dihydroisoindol-5-yl)acetamide is sourced from PubChem (CID 15167888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).