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

C15H18N2O4 — CID 78783512

IUPAC2-butyl-N-(2-hydroxyethyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCCCCN1C(=O)c2ccc(C(=O)NCCO)cc2C1=O
InChIInChI=1S/C15H18N2O4/c1-2-3-7-17-14(20)11-5-4-10(9-12(11)15(17)21)13(19)16-6-8-18/h4-5,9,18H,2-3,6-8H2,1H3,(H,16,19)
InChIKeyBJWSIPKBZNMOGP-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.80
Rot. Bonds6

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

2-butyl-N-(2-hydroxyethyl)-1,3-dioxoisoindole-5-carboxamide (PubChem CID 78783512) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-butyl-N-(2-hydroxyethyl)-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound Name2-butyl-N-(2-hydroxyethyl)-1,3-dioxoisoindole-5-carboxamide
PubChem CID78783512
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name2-butyl-N-(2-hydroxyethyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCCCCN1C(=O)c2ccc(C(=O)NCCO)cc2C1=O
InChIInChI=1S/C15H18N2O4/c1-2-3-7-17-14(20)11-5-4-10(9-12(11)15(17)21)13(19)16-6-8-18/h4-5,9,18H,2-3,6-8H2,1H3,(H,16,19)
InChIKeyBJWSIPKBZNMOGP-UHFFFAOYSA-N
XLogP0.80
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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-(3-methylbutyl)-1,3-dioxoisoindole-5-carboxamide
CID 24538597
N-(3-aminobutyl)-2-butyl-1,3-dioxoisoindole-5-carboxamide
CID 119498610
2-butyl-N-methyl-1,3-dioxoisoindole-5-carboxamide
CID 47099803
N-[3-(azepan-1-yl)propyl]-2-butyl-1,3-dioxoisoindole-5-carboxamide
CID 30942271
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-butyl-N-[2-(2-methoxyphenyl)ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 27756862
2-butyl-N-(3,5-dichlorophenyl)-1,3-dioxoisoindole-5-carboxamide
CID 3900197
N-butyl-2-hydroxy-1,3-dioxoisoindole-5-carboxamide
CID 59622421
2-butyl-1,3-dioxo-N-phenylisoindole-5-carboxamide
CID 2598570

Frequently Asked Questions

What is the IUPAC name of 2-butyl-N-(2-hydroxyethyl)-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of 2-butyl-N-(2-hydroxyethyl)-1,3-dioxoisoindole-5-carboxamide (CID 78783512) is 2-butyl-N-(2-hydroxyethyl)-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for 2-butyl-N-(2-hydroxyethyl)-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for 2-butyl-N-(2-hydroxyethyl)-1,3-dioxoisoindole-5-carboxamide is CCCCN1C(=O)c2ccc(C(=O)NCCO)cc2C1=O.
What is the InChIKey of 2-butyl-N-(2-hydroxyethyl)-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is BJWSIPKBZNMOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-2-3-7-17-14(20)11-5-4-10(9-12(11)15(17)21)13(19)16-6-8-18/h4-5,9,18H,2-3,6-8H2,1H3,(H,16,19).
What are the key properties of 2-butyl-N-(2-hydroxyethyl)-1,3-dioxoisoindole-5-carboxamide?
2-butyl-N-(2-hydroxyethyl)-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 290.32 g/mol, XLogP of 0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-N-(2-hydroxyethyl)-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 78783512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).