N-benzyl-1,3-dioxo-2-propylisoindole-5-carboxamide

C19H18N2O3 — CID 3391897

IUPACN-benzyl-1,3-dioxo-2-propylisoindole-5-carboxamide
SMILESCCCN1C(=O)c2ccc(C(=O)NCc3ccccc3)cc2C1=O
InChIInChI=1S/C19H18N2O3/c1-2-10-21-18(23)15-9-8-14(11-16(15)19(21)24)17(22)20-12-13-6-4-3-5-7-13/h3-9,11H,2,10,12H2,1H3,(H,20,22)
InChIKeyQCQYOBYKRGTODF-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.62
Rot. Bonds5

About N-benzyl-1,3-dioxo-2-propylisoindole-5-carboxamide

N-benzyl-1,3-dioxo-2-propylisoindole-5-carboxamide (PubChem CID 3391897) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is N-benzyl-1,3-dioxo-2-propylisoindole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-1,3-dioxo-2-propylisoindole-5-carboxamide
PubChem CID3391897
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC NameN-benzyl-1,3-dioxo-2-propylisoindole-5-carboxamide
SMILESCCCN1C(=O)c2ccc(C(=O)NCc3ccccc3)cc2C1=O
InChIInChI=1S/C19H18N2O3/c1-2-10-21-18(23)15-9-8-14(11-16(15)19(21)24)17(22)20-12-13-6-4-3-5-7-13/h3-9,11H,2,10,12H2,1H3,(H,20,22)
InChIKeyQCQYOBYKRGTODF-UHFFFAOYSA-N
XLogP2.62
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-butyl-N-[(4-chlorophenyl)methyl]-1,3-dioxoisoindole-5-carboxamide
CID 3380293
N-benzyl-2-(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 19132955
N-benzyl-1,3-dioxo-2-(pyridin-3-ylmethyl)isoindole-5-carboxamide
CID 1026487
2-benzyl-1,3-dioxo-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]isoindole-5-carboxamide
CID 38346112
N-benzyl-1,3-dioxo-2-(2,4,6-trimethylphenyl)isoindole-5-carboxamide
CID 9320693
methyl N-[4-[[(2-benzyl-1,3-dioxoisoindole-5-carbonyl)amino]methyl]phenyl]carbamate
CID 55732320
2-butyl-N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-1,3-dioxoisoindole-5-carboxamide
CID 55841100
N-[2-(dimethylamino)-2-oxoethyl]-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide
CID 26442861
[1-(benzylamino)-1-oxopropan-2-yl] 2-butyl-1,3-dioxoisoindole-5-carboxylate
CID 42969495
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide
CID 55866187
2-butyl-1,3-dioxo-N-phenylisoindole-5-carboxamide
CID 2598570
N-(3-hydroxypropyl)-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide
CID 78795995

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1,3-dioxo-2-propylisoindole-5-carboxamide?
The IUPAC name of N-benzyl-1,3-dioxo-2-propylisoindole-5-carboxamide (CID 3391897) is N-benzyl-1,3-dioxo-2-propylisoindole-5-carboxamide.
What is the SMILES notation for N-benzyl-1,3-dioxo-2-propylisoindole-5-carboxamide?
The canonical SMILES for N-benzyl-1,3-dioxo-2-propylisoindole-5-carboxamide is CCCN1C(=O)c2ccc(C(=O)NCc3ccccc3)cc2C1=O.
What is the InChIKey of N-benzyl-1,3-dioxo-2-propylisoindole-5-carboxamide?
The InChIKey is QCQYOBYKRGTODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-2-10-21-18(23)15-9-8-14(11-16(15)19(21)24)17(22)20-12-13-6-4-3-5-7-13/h3-9,11H,2,10,12H2,1H3,(H,20,22).
What are the key properties of N-benzyl-1,3-dioxo-2-propylisoindole-5-carboxamide?
N-benzyl-1,3-dioxo-2-propylisoindole-5-carboxamide has a molecular weight of 322.36 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1,3-dioxo-2-propylisoindole-5-carboxamide is sourced from PubChem (CID 3391897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).