2-benzyl-1,3-dioxo-N-(3-propan-2-yloxypropyl)isoindole-5-carboxamide

C22H24N2O4 — CID 31306194

IUPAC2-benzyl-1,3-dioxo-N-(3-propan-2-yloxypropyl)isoindole-5-carboxamide
SMILESCC(C)OCCCNC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O
InChIInChI=1S/C22H24N2O4/c1-15(2)28-12-6-11-23-20(25)17-9-10-18-19(13-17)22(27)24(21(18)26)14-16-7-4-3-5-8-16/h3-5,7-10,13,15H,6,11-12,14H2,1-2H3,(H,23,25)
InChIKeyUHCOHQAJZGLSRI-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.03
Rot. Bonds8

About 2-benzyl-1,3-dioxo-N-(3-propan-2-yloxypropyl)isoindole-5-carboxamide

2-benzyl-1,3-dioxo-N-(3-propan-2-yloxypropyl)isoindole-5-carboxamide (PubChem CID 31306194) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 2-benzyl-1,3-dioxo-N-(3-propan-2-yloxypropyl)isoindole-5-carboxamide.

Molecular Properties

Compound Name2-benzyl-1,3-dioxo-N-(3-propan-2-yloxypropyl)isoindole-5-carboxamide
PubChem CID31306194
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name2-benzyl-1,3-dioxo-N-(3-propan-2-yloxypropyl)isoindole-5-carboxamide
SMILESCC(C)OCCCNC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O
InChIInChI=1S/C22H24N2O4/c1-15(2)28-12-6-11-23-20(25)17-9-10-18-19(13-17)22(27)24(21(18)26)14-16-7-4-3-5-8-16/h3-5,7-10,13,15H,6,11-12,14H2,1-2H3,(H,23,25)
InChIKeyUHCOHQAJZGLSRI-UHFFFAOYSA-N
XLogP3.03
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.03
H-Bond Donors ≤ 51
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

2-benzyl-N-[2-(2-methoxyphenoxy)ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 38451540
2-methyl-1,3-dioxo-N-[3-(1-phenylethoxy)propyl]isoindole-5-carboxamide
CID 46536752
propan-2-yl 2-benzyl-1,3-dioxoisoindole-5-carboxylate
CID 43018408
2-[2-(1H-indol-3-yl)ethyl]-1,3-dioxo-N-(3-propan-2-yloxypropyl)isoindole-5-carboxamide
CID 29128923
2-benzyl-N-(cyclopropylmethyl)-1,3-dioxoisoindole-5-carboxamide
CID 33451204
2-cyclohexyl-1,3-dioxo-N-(3-propan-2-yloxypropyl)isoindole-5-carboxamide
CID 34375747
2-benzyl-N-methylsulfonyl-1,3-dioxoisoindole-5-carboxamide
CID 146154199
2-benzyl-N-[3-[4-(2-methylpropyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]propyl]-1,3-dioxoisoindole-5-carboxamide
CID 55391038
2-benzyl-1,3-dioxoisoindole-5-carboxylic acid
CID 748193
N-(3-hydroxypropyl)-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide
CID 78795995
N-(3-propan-2-yloxypropyl)naphthalene-2-carboxamide
CID 110485660
methyl N-[4-[[(2-benzyl-1,3-dioxoisoindole-5-carbonyl)amino]methyl]phenyl]carbamate
CID 55732320

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1,3-dioxo-N-(3-propan-2-yloxypropyl)isoindole-5-carboxamide?
The IUPAC name of 2-benzyl-1,3-dioxo-N-(3-propan-2-yloxypropyl)isoindole-5-carboxamide (CID 31306194) is 2-benzyl-1,3-dioxo-N-(3-propan-2-yloxypropyl)isoindole-5-carboxamide.
What is the SMILES notation for 2-benzyl-1,3-dioxo-N-(3-propan-2-yloxypropyl)isoindole-5-carboxamide?
The canonical SMILES for 2-benzyl-1,3-dioxo-N-(3-propan-2-yloxypropyl)isoindole-5-carboxamide is CC(C)OCCCNC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O.
What is the InChIKey of 2-benzyl-1,3-dioxo-N-(3-propan-2-yloxypropyl)isoindole-5-carboxamide?
The InChIKey is UHCOHQAJZGLSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-15(2)28-12-6-11-23-20(25)17-9-10-18-19(13-17)22(27)24(21(18)26)14-16-7-4-3-5-8-16/h3-5,7-10,13,15H,6,11-12,14H2,1-2H3,(H,23,25).
What are the key properties of 2-benzyl-1,3-dioxo-N-(3-propan-2-yloxypropyl)isoindole-5-carboxamide?
2-benzyl-1,3-dioxo-N-(3-propan-2-yloxypropyl)isoindole-5-carboxamide has a molecular weight of 380.44 g/mol, XLogP of 3.03, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1,3-dioxo-N-(3-propan-2-yloxypropyl)isoindole-5-carboxamide is sourced from PubChem (CID 31306194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).