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

C14H16N2O3 — CID 47099803

IUPAC2-butyl-N-methyl-1,3-dioxoisoindole-5-carboxamide
SMILESCCCCN1C(=O)c2ccc(C(=O)NC)cc2C1=O
InChIInChI=1S/C14H16N2O3/c1-3-4-7-16-13(18)10-6-5-9(12(17)15-2)8-11(10)14(16)19/h5-6,8H,3-4,7H2,1-2H3,(H,15,17)
InChIKeyUDZLXBKFIXRUJO-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.44
Rot. Bonds4

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

2-butyl-N-methyl-1,3-dioxoisoindole-5-carboxamide (PubChem CID 47099803) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-butyl-N-methyl-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound Name2-butyl-N-methyl-1,3-dioxoisoindole-5-carboxamide
PubChem CID47099803
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name2-butyl-N-methyl-1,3-dioxoisoindole-5-carboxamide
SMILESCCCCN1C(=O)c2ccc(C(=O)NC)cc2C1=O
InChIInChI=1S/C14H16N2O3/c1-3-4-7-16-13(18)10-6-5-9(12(17)15-2)8-11(10)14(16)19/h5-6,8H,3-4,7H2,1-2H3,(H,15,17)
InChIKeyUDZLXBKFIXRUJO-UHFFFAOYSA-N
XLogP1.44
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.44
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-(2-hydroxyethyl)-1,3-dioxoisoindole-5-carboxamide
CID 78783512
2-butyl-1,3-dioxo-N-phenylisoindole-5-carboxamide
CID 2598570
2-butyl-N-[2-(ethylamino)ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 119508444
2-butyl-N-[2-(dimethylamino)-2-oxoethyl]-1,3-dioxoisoindole-5-carboxamide
CID 9480685
2-butyl-N-[2-(ethylamino)ethyl]-1,3-dioxoisoindole-5-carboxamide;hydrochloride
CID 119508443
2-butyl-N-(3-methylbutyl)-1,3-dioxoisoindole-5-carboxamide
CID 24538597
2-butyl-N-(3,5-dichlorophenyl)-1,3-dioxoisoindole-5-carboxamide
CID 3900197
N-(4-amino-3,5-dichlorophenyl)-2-butyl-1,3-dioxoisoindole-5-carboxamide
CID 27160971
2-butyl-N-(1-methylpyrazol-4-yl)-1,3-dioxoisoindole-5-carboxamide
CID 32603541
(2R)-2-[(2-butyl-1,3-dioxoisoindole-5-carbonyl)amino]-4-methylpentanoic acid
CID 119364341
2-butyl-N-[(4-chlorophenyl)methyl]-1,3-dioxoisoindole-5-carboxamide
CID 3380293
2-butyl-N-(4-hydroxycyclohexyl)-1,3-dioxoisoindole-5-carboxamide
CID 78767376

Frequently Asked Questions

What is the IUPAC name of 2-butyl-N-methyl-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of 2-butyl-N-methyl-1,3-dioxoisoindole-5-carboxamide (CID 47099803) is 2-butyl-N-methyl-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for 2-butyl-N-methyl-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for 2-butyl-N-methyl-1,3-dioxoisoindole-5-carboxamide is CCCCN1C(=O)c2ccc(C(=O)NC)cc2C1=O.
What is the InChIKey of 2-butyl-N-methyl-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is UDZLXBKFIXRUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-3-4-7-16-13(18)10-6-5-9(12(17)15-2)8-11(10)14(16)19/h5-6,8H,3-4,7H2,1-2H3,(H,15,17).
What are the key properties of 2-butyl-N-methyl-1,3-dioxoisoindole-5-carboxamide?
2-butyl-N-methyl-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 260.29 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-N-methyl-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 47099803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).