2-butyl-N-(3-methylbutyl)-1,3-dioxoisoindole-5-carboxamide

C18H24N2O3 — CID 24538597

IUPAC2-butyl-N-(3-methylbutyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCCCCN1C(=O)c2ccc(C(=O)NCCC(C)C)cc2C1=O
InChIInChI=1S/C18H24N2O3/c1-4-5-10-20-17(22)14-7-6-13(11-15(14)18(20)23)16(21)19-9-8-12(2)3/h6-7,11-12H,4-5,8-10H2,1-3H3,(H,19,21)
InChIKeyIXJFINZXBWRYGB-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.86
Rot. Bonds7

About 2-butyl-N-(3-methylbutyl)-1,3-dioxoisoindole-5-carboxamide

2-butyl-N-(3-methylbutyl)-1,3-dioxoisoindole-5-carboxamide (PubChem CID 24538597) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-butyl-N-(3-methylbutyl)-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound Name2-butyl-N-(3-methylbutyl)-1,3-dioxoisoindole-5-carboxamide
PubChem CID24538597
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name2-butyl-N-(3-methylbutyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCCCCN1C(=O)c2ccc(C(=O)NCCC(C)C)cc2C1=O
InChIInChI=1S/C18H24N2O3/c1-4-5-10-20-17(22)14-7-6-13(11-15(14)18(20)23)16(21)19-9-8-12(2)3/h6-7,11-12H,4-5,8-10H2,1-3H3,(H,19,21)
InChIKeyIXJFINZXBWRYGB-UHFFFAOYSA-N
XLogP2.86
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.86
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

N-(3-aminobutyl)-2-butyl-1,3-dioxoisoindole-5-carboxamide
CID 119498610
2-butyl-N-(2-hydroxyethyl)-1,3-dioxoisoindole-5-carboxamide
CID 78783512
2-butyl-N-[2-(ethylamino)ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 119508444
2-butyl-N-[2-(ethylamino)ethyl]-1,3-dioxoisoindole-5-carboxamide;hydrochloride
CID 119508443
2-butyl-N-methyl-1,3-dioxoisoindole-5-carboxamide
CID 47099803
N-(1-amino-4-methylpentan-2-yl)-2-butyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride
CID 119588040
N-[3-(azepan-1-yl)propyl]-2-butyl-1,3-dioxoisoindole-5-carboxamide
CID 30942271
(2R)-2-[(2-butyl-1,3-dioxoisoindole-5-carbonyl)amino]-4-methylpentanoic acid
CID 119364341
2-butyl-N-[2-(dimethylamino)-2-oxoethyl]-1,3-dioxoisoindole-5-carboxamide
CID 9480685
2-butyl-N-[(4-chlorophenyl)methyl]-1,3-dioxoisoindole-5-carboxamide
CID 3380293
2-(3-methoxypropyl)-N-[2-(2-methylpropanoylamino)ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 32974762
2-butyl-N-[2-(2-methoxyphenyl)ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 27756862

Frequently Asked Questions

What is the IUPAC name of 2-butyl-N-(3-methylbutyl)-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of 2-butyl-N-(3-methylbutyl)-1,3-dioxoisoindole-5-carboxamide (CID 24538597) is 2-butyl-N-(3-methylbutyl)-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for 2-butyl-N-(3-methylbutyl)-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for 2-butyl-N-(3-methylbutyl)-1,3-dioxoisoindole-5-carboxamide is CCCCN1C(=O)c2ccc(C(=O)NCCC(C)C)cc2C1=O.
What is the InChIKey of 2-butyl-N-(3-methylbutyl)-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is IXJFINZXBWRYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-4-5-10-20-17(22)14-7-6-13(11-15(14)18(20)23)16(21)19-9-8-12(2)3/h6-7,11-12H,4-5,8-10H2,1-3H3,(H,19,21).
What are the key properties of 2-butyl-N-(3-methylbutyl)-1,3-dioxoisoindole-5-carboxamide?
2-butyl-N-(3-methylbutyl)-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-N-(3-methylbutyl)-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 24538597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).