3-[(1,3-dioxoisoindol-2-yl)methyl]-N-ethyl-N-(2-methylprop-2-enyl)benzamide

C22H22N2O3 — CID 60519917

IUPAC3-[(1,3-dioxoisoindol-2-yl)methyl]-N-ethyl-N-(2-methylprop-2-enyl)benzamide
SMILESC=C(C)CN(CC)C(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C22H22N2O3/c1-4-23(13-15(2)3)20(25)17-9-7-8-16(12-17)14-24-21(26)18-10-5-6-11-19(18)22(24)27/h5-12H,2,4,13-14H2,1,3H3
InChIKeyUODIUDZOGIXQNV-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.52
Rot. Bonds6

About 3-[(1,3-dioxoisoindol-2-yl)methyl]-N-ethyl-N-(2-methylprop-2-enyl)benzamide

3-[(1,3-dioxoisoindol-2-yl)methyl]-N-ethyl-N-(2-methylprop-2-enyl)benzamide (PubChem CID 60519917) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is 3-[(1,3-dioxoisoindol-2-yl)methyl]-N-ethyl-N-(2-methylprop-2-enyl)benzamide.

Molecular Properties

Compound Name3-[(1,3-dioxoisoindol-2-yl)methyl]-N-ethyl-N-(2-methylprop-2-enyl)benzamide
PubChem CID60519917
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name3-[(1,3-dioxoisoindol-2-yl)methyl]-N-ethyl-N-(2-methylprop-2-enyl)benzamide
SMILESC=C(C)CN(CC)C(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C22H22N2O3/c1-4-23(13-15(2)3)20(25)17-9-7-8-16(12-17)14-24-21(26)18-10-5-6-11-19(18)22(24)27/h5-12H,2,4,13-14H2,1,3H3
InChIKeyUODIUDZOGIXQNV-UHFFFAOYSA-N
XLogP3.52
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-benzyl-N-ethyl-N-(2-methylprop-2-enyl)-1,3-dioxoisoindole-5-carboxamide
CID 31832326
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 4-[(1,3-dioxoisoindol-2-yl)methyl]benzoate
CID 35188289
N-[[4-(diethylaminomethyl)phenyl]methyl]-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
CID 55416490
2-[4-[3-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]-1,4-diazepan-1-yl]-N,N-diethylacetamide
CID 55631626
[2-(dimethylamino)-2-oxoethyl] 3-[(1,3-dioxoisoindol-2-yl)methyl]benzoate
CID 2114986
3-[(1,3-dioxoisoindol-2-yl)methyl]-N-[2-[di(propan-2-yl)amino]ethyl]benzamide
CID 46650963
N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-ethylbenzamide
CID 102234851
2-benzyl-N-ethyl-1,3-dioxo-N-(thiophen-2-ylmethyl)isoindole-5-carboxamide
CID 46430983
3-cyano-N-ethyl-N-(2-methylprop-2-enyl)benzamide
CID 24697009
3-(4-benzylpiperazin-1-yl)sulfonyl-N-ethyl-N-(2-methylprop-2-enyl)benzamide
CID 52551951
3-[(1,3-dioxoisoindol-2-yl)methyl]-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120829754
N-[2-(4-chlorophenyl)ethyl]-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
CID 9217155

Frequently Asked Questions

What is the IUPAC name of 3-[(1,3-dioxoisoindol-2-yl)methyl]-N-ethyl-N-(2-methylprop-2-enyl)benzamide?
The IUPAC name of 3-[(1,3-dioxoisoindol-2-yl)methyl]-N-ethyl-N-(2-methylprop-2-enyl)benzamide (CID 60519917) is 3-[(1,3-dioxoisoindol-2-yl)methyl]-N-ethyl-N-(2-methylprop-2-enyl)benzamide.
What is the SMILES notation for 3-[(1,3-dioxoisoindol-2-yl)methyl]-N-ethyl-N-(2-methylprop-2-enyl)benzamide?
The canonical SMILES for 3-[(1,3-dioxoisoindol-2-yl)methyl]-N-ethyl-N-(2-methylprop-2-enyl)benzamide is C=C(C)CN(CC)C(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1.
What is the InChIKey of 3-[(1,3-dioxoisoindol-2-yl)methyl]-N-ethyl-N-(2-methylprop-2-enyl)benzamide?
The InChIKey is UODIUDZOGIXQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-4-23(13-15(2)3)20(25)17-9-7-8-16(12-17)14-24-21(26)18-10-5-6-11-19(18)22(24)27/h5-12H,2,4,13-14H2,1,3H3.
What are the key properties of 3-[(1,3-dioxoisoindol-2-yl)methyl]-N-ethyl-N-(2-methylprop-2-enyl)benzamide?
3-[(1,3-dioxoisoindol-2-yl)methyl]-N-ethyl-N-(2-methylprop-2-enyl)benzamide has a molecular weight of 362.43 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,3-dioxoisoindol-2-yl)methyl]-N-ethyl-N-(2-methylprop-2-enyl)benzamide is sourced from PubChem (CID 60519917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).