N-butyl-N,2-dimethyl-1,3-dioxoisoindole-5-carboxamide

C15H18N2O3 — CID 32906535

IUPACN-butyl-N,2-dimethyl-1,3-dioxoisoindole-5-carboxamide
SMILESCCCCN(C)C(=O)c1ccc2c(c1)C(=O)N(C)C2=O
InChIInChI=1S/C15H18N2O3/c1-4-5-8-16(2)13(18)10-6-7-11-12(9-10)15(20)17(3)14(11)19/h6-7,9H,4-5,8H2,1-3H3
InChIKeyQHIWLBSEONXPBI-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.78
Rot. Bonds4

About N-butyl-N,2-dimethyl-1,3-dioxoisoindole-5-carboxamide

N-butyl-N,2-dimethyl-1,3-dioxoisoindole-5-carboxamide (PubChem CID 32906535) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-butyl-N,2-dimethyl-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound NameN-butyl-N,2-dimethyl-1,3-dioxoisoindole-5-carboxamide
PubChem CID32906535
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC NameN-butyl-N,2-dimethyl-1,3-dioxoisoindole-5-carboxamide
SMILESCCCCN(C)C(=O)c1ccc2c(c1)C(=O)N(C)C2=O
InChIInChI=1S/C15H18N2O3/c1-4-5-8-16(2)13(18)10-6-7-11-12(9-10)15(20)17(3)14(11)19/h6-7,9H,4-5,8H2,1-3H3
InChIKeyQHIWLBSEONXPBI-UHFFFAOYSA-N
XLogP1.78
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-chlorophenoxy)propyl]-N,2-dimethyl-1,3-dioxoisoindole-5-carboxamide
CID 55898733
N-[(4-cyanophenyl)methyl]-N,2-dimethyl-1,3-dioxoisoindole-5-carboxamide
CID 39861425
N-butyl-4-(diethylamino)-N-methylbenzamide
CID 78796145
N-(3-amino-2,2-dimethylpropyl)-2-butyl-N-methyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride
CID 119656047
4-[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)-methylamino]butanoic acid
CID 119173041
4-[butyl(methyl)carbamoyl]benzoic acid
CID 43452774
N-[2-(diethylamino)ethyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 78773962
N-(4-butylphenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 26268853
2-methyl-N-[5-[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]pentyl]-1,3-dioxoisoindole-5-carboxamide
CID 169211222
N-butyl-N-methyl-1H-indole-5-carboxamide
CID 63717689
N-(2-aminoethyl)-2-methyl-1,3-dioxo-N-(2-phenylethyl)isoindole-5-carboxamide
CID 120886128
N-[[4-(dimethylamino)phenyl]methyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 37216605

Frequently Asked Questions

What is the IUPAC name of N-butyl-N,2-dimethyl-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of N-butyl-N,2-dimethyl-1,3-dioxoisoindole-5-carboxamide (CID 32906535) is N-butyl-N,2-dimethyl-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for N-butyl-N,2-dimethyl-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for N-butyl-N,2-dimethyl-1,3-dioxoisoindole-5-carboxamide is CCCCN(C)C(=O)c1ccc2c(c1)C(=O)N(C)C2=O.
What is the InChIKey of N-butyl-N,2-dimethyl-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is QHIWLBSEONXPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-4-5-8-16(2)13(18)10-6-7-11-12(9-10)15(20)17(3)14(11)19/h6-7,9H,4-5,8H2,1-3H3.
What are the key properties of N-butyl-N,2-dimethyl-1,3-dioxoisoindole-5-carboxamide?
N-butyl-N,2-dimethyl-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N,2-dimethyl-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 32906535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).