N,N-dimethyl-4-[(3-oxo-1H-isoindol-2-yl)methyl]benzamide

C18H18N2O2 — CID 166530339

IUPACN,N-dimethyl-4-[(3-oxo-1H-isoindol-2-yl)methyl]benzamide
SMILESCN(C)C(=O)c1ccc(CN2Cc3ccccc3C2=O)cc1
InChIInChI=1S/C18H18N2O2/c1-19(2)17(21)14-9-7-13(8-10-14)11-20-12-15-5-3-4-6-16(15)18(20)22/h3-10H,11-12H2,1-2H3
InChIKeyBWFJDYMLUJVWLR-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.54
Rot. Bonds3

About N,N-dimethyl-4-[(3-oxo-1H-isoindol-2-yl)methyl]benzamide

N,N-dimethyl-4-[(3-oxo-1H-isoindol-2-yl)methyl]benzamide (PubChem CID 166530339) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is N,N-dimethyl-4-[(3-oxo-1H-isoindol-2-yl)methyl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[(3-oxo-1H-isoindol-2-yl)methyl]benzamide
PubChem CID166530339
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC NameN,N-dimethyl-4-[(3-oxo-1H-isoindol-2-yl)methyl]benzamide
SMILESCN(C)C(=O)c1ccc(CN2Cc3ccccc3C2=O)cc1
InChIInChI=1S/C18H18N2O2/c1-19(2)17(21)14-9-7-13(8-10-14)11-20-12-15-5-3-4-6-16(15)18(20)22/h3-10H,11-12H2,1-2H3
InChIKeyBWFJDYMLUJVWLR-UHFFFAOYSA-N
XLogP2.54
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-aminophenyl)methyl]-3H-isoindol-1-one
CID 171099750
2-benzyl-3-oxo-1H-isoindole-5-carboxylic acid
CID 67265769
N,N-dimethyl-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 94870727
(2-aminophenyl)imino-[4-[(3-oxo-1H-isoindol-2-yl)methyl]benzoyl]iminoazanium
CID 175242276
2-[2-(4-chlorophenyl)-2-oxoethyl]-3H-isoindol-1-one
CID 62023062
N-(4-ethylphenyl)-N-methyl-2-(3-oxo-1H-isoindol-2-yl)acetamide
CID 20906009
2-(2H-benzotriazol-5-ylmethyl)-3H-isoindol-1-one
CID 176907257
2-[(3-oxo-1H-isoindol-2-yl)methyl]benzoic acid
CID 43625924
5-(3-oxo-1H-isoindol-2-yl)pentanoic acid
CID 18870951
(3-oxo-1H-isoindol-2-yl)methyl acetate
CID 23274019
N-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-phenylmethoxyacetamide
CID 71845218
N,N-dimethyl-3-[[3-oxo-5-[N-(2,2,2-trifluoroacetyl)carbamimidoyl]-1H-isoindol-2-yl]methyl]benzamide
CID 171928284

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(3-oxo-1H-isoindol-2-yl)methyl]benzamide?
The IUPAC name of N,N-dimethyl-4-[(3-oxo-1H-isoindol-2-yl)methyl]benzamide (CID 166530339) is N,N-dimethyl-4-[(3-oxo-1H-isoindol-2-yl)methyl]benzamide.
What is the SMILES notation for N,N-dimethyl-4-[(3-oxo-1H-isoindol-2-yl)methyl]benzamide?
The canonical SMILES for N,N-dimethyl-4-[(3-oxo-1H-isoindol-2-yl)methyl]benzamide is CN(C)C(=O)c1ccc(CN2Cc3ccccc3C2=O)cc1.
What is the InChIKey of N,N-dimethyl-4-[(3-oxo-1H-isoindol-2-yl)methyl]benzamide?
The InChIKey is BWFJDYMLUJVWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-19(2)17(21)14-9-7-13(8-10-14)11-20-12-15-5-3-4-6-16(15)18(20)22/h3-10H,11-12H2,1-2H3.
What are the key properties of N,N-dimethyl-4-[(3-oxo-1H-isoindol-2-yl)methyl]benzamide?
N,N-dimethyl-4-[(3-oxo-1H-isoindol-2-yl)methyl]benzamide has a molecular weight of 294.35 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(3-oxo-1H-isoindol-2-yl)methyl]benzamide is sourced from PubChem (CID 166530339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).