2-(3-methoxypropyl)-N-methyl-1,3-dioxo-N-(1-phenylethyl)isoindole-5-carboxamide

C22H24N2O4 — CID 51188195

IUPAC2-(3-methoxypropyl)-N-methyl-1,3-dioxo-N-(1-phenylethyl)isoindole-5-carboxamide
SMILESCOCCCN1C(=O)c2ccc(C(=O)N(C)C(C)c3ccccc3)cc2C1=O
InChIInChI=1S/C22H24N2O4/c1-15(16-8-5-4-6-9-16)23(2)20(25)17-10-11-18-19(14-17)22(27)24(21(18)26)12-7-13-28-3/h4-6,8-11,14-15H,7,12-13H2,1-3H3
InChIKeyMVOKRLIEQVKQOO-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.15
Rot. Bonds7

About 2-(3-methoxypropyl)-N-methyl-1,3-dioxo-N-(1-phenylethyl)isoindole-5-carboxamide

2-(3-methoxypropyl)-N-methyl-1,3-dioxo-N-(1-phenylethyl)isoindole-5-carboxamide (PubChem CID 51188195) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 2-(3-methoxypropyl)-N-methyl-1,3-dioxo-N-(1-phenylethyl)isoindole-5-carboxamide.

Molecular Properties

Compound Name2-(3-methoxypropyl)-N-methyl-1,3-dioxo-N-(1-phenylethyl)isoindole-5-carboxamide
PubChem CID51188195
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name2-(3-methoxypropyl)-N-methyl-1,3-dioxo-N-(1-phenylethyl)isoindole-5-carboxamide
SMILESCOCCCN1C(=O)c2ccc(C(=O)N(C)C(C)c3ccccc3)cc2C1=O
InChIInChI=1S/C22H24N2O4/c1-15(16-8-5-4-6-9-16)23(2)20(25)17-10-11-18-19(14-17)22(27)24(21(18)26)12-7-13-28-3/h4-6,8-11,14-15H,7,12-13H2,1-3H3
InChIKeyMVOKRLIEQVKQOO-UHFFFAOYSA-N
XLogP3.15
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxylate
CID 42985128
[(2R)-1-(dimethylamino)-1-oxopropan-2-yl] 2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxylate
CID 8601002
2-(3-methoxypropyl)-N-[2-(2-methylpropanoylamino)ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 32974762
N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide
CID 34190790
N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide
CID 9470489
N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide
CID 9470488
[(1S)-1-(2-chlorophenyl)ethyl] 2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxylate
CID 7738478
2-(3-methoxypropyl)-N-[2-[(4-methylbenzoyl)amino]ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 108537943
N-(2-benzylsulfanylethyl)-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide
CID 9470310
2-benzyl-N-methyl-N-[1-(3-nitrophenyl)ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 46601351
N-[(1R)-1-(furan-2-yl)ethyl]-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide
CID 9482083
N-(2,6-dimethylphenyl)-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide
CID 3744208

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropyl)-N-methyl-1,3-dioxo-N-(1-phenylethyl)isoindole-5-carboxamide?
The IUPAC name of 2-(3-methoxypropyl)-N-methyl-1,3-dioxo-N-(1-phenylethyl)isoindole-5-carboxamide (CID 51188195) is 2-(3-methoxypropyl)-N-methyl-1,3-dioxo-N-(1-phenylethyl)isoindole-5-carboxamide.
What is the SMILES notation for 2-(3-methoxypropyl)-N-methyl-1,3-dioxo-N-(1-phenylethyl)isoindole-5-carboxamide?
The canonical SMILES for 2-(3-methoxypropyl)-N-methyl-1,3-dioxo-N-(1-phenylethyl)isoindole-5-carboxamide is COCCCN1C(=O)c2ccc(C(=O)N(C)C(C)c3ccccc3)cc2C1=O.
What is the InChIKey of 2-(3-methoxypropyl)-N-methyl-1,3-dioxo-N-(1-phenylethyl)isoindole-5-carboxamide?
The InChIKey is MVOKRLIEQVKQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-15(16-8-5-4-6-9-16)23(2)20(25)17-10-11-18-19(14-17)22(27)24(21(18)26)12-7-13-28-3/h4-6,8-11,14-15H,7,12-13H2,1-3H3.
What are the key properties of 2-(3-methoxypropyl)-N-methyl-1,3-dioxo-N-(1-phenylethyl)isoindole-5-carboxamide?
2-(3-methoxypropyl)-N-methyl-1,3-dioxo-N-(1-phenylethyl)isoindole-5-carboxamide has a molecular weight of 380.44 g/mol, XLogP of 3.15, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropyl)-N-methyl-1,3-dioxo-N-(1-phenylethyl)isoindole-5-carboxamide is sourced from PubChem (CID 51188195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).