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

C17H22N2O3 — CID 9320739

IUPACN-tert-butyl-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCC(C)CN1C(=O)c2ccc(C(=O)NC(C)(C)C)cc2C1=O
InChIInChI=1S/C17H22N2O3/c1-10(2)9-19-15(21)12-7-6-11(8-13(12)16(19)22)14(20)18-17(3,4)5/h6-8,10H,9H2,1-5H3,(H,18,20)
InChIKeySHVZBYSLOTXZGP-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.47
Rot. Bonds3

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

N-tert-butyl-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide (PubChem CID 9320739) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is N-tert-butyl-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide
PubChem CID9320739
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC NameN-tert-butyl-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCC(C)CN1C(=O)c2ccc(C(=O)NC(C)(C)C)cc2C1=O
InChIInChI=1S/C17H22N2O3/c1-10(2)9-19-15(21)12-7-6-11(8-13(12)16(19)22)14(20)18-17(3,4)5/h6-8,10H,9H2,1-5H3,(H,18,20)
InChIKeySHVZBYSLOTXZGP-UHFFFAOYSA-N
XLogP2.47
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.47
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-[2-(cyclopropanecarbonylamino)ethyl]-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide
CID 108540249
N-tert-butyl-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide
CID 839536
5-methyl-2-[[2-(2-methylpropyl)-1,3-dioxoisoindole-5-carbonyl]amino]benzoate
CID 7309248
N-tert-butyl-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 4793298
5-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]-2-(2-methylpropyl)isoindole-1,3-dione
CID 108534968
N-[(2-chlorophenyl)methyl]-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide
CID 9321369
N-(1-acetylpiperidin-4-yl)-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide
CID 108560251
tert-butyl N-[3-[4-[[2-(2-methylpropyl)-1,3-dioxoisoindole-5-carbonyl]amino]anilino]-3-oxopropyl]carbamate
CID 108919833
5-(4-acetylpiperazine-1-carbonyl)-2-(2-methylpropyl)isoindole-1,3-dione
CID 39349762
N-(2,5-dimethoxyphenyl)-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide
CID 1330294
5-[4-(3,3-dimethylbutanoyl)piperazine-1-carbonyl]-2-(2-methylpropyl)isoindole-1,3-dione
CID 108568248
N-(1H-indol-6-yl)-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide
CID 39354797

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of N-tert-butyl-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide (CID 9320739) is N-tert-butyl-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for N-tert-butyl-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for N-tert-butyl-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide is CC(C)CN1C(=O)c2ccc(C(=O)NC(C)(C)C)cc2C1=O.
What is the InChIKey of N-tert-butyl-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is SHVZBYSLOTXZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-10(2)9-19-15(21)12-7-6-11(8-13(12)16(19)22)14(20)18-17(3,4)5/h6-8,10H,9H2,1-5H3,(H,18,20).
What are the key properties of N-tert-butyl-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide?
N-tert-butyl-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 302.37 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 9320739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).