N-tert-butyl-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide

C19H24N2O3 — CID 839422

IUPACN-tert-butyl-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide
SMILESCC(C)(C)NC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O
InChIInChI=1S/C19H24N2O3/c1-19(2,3)20-16(22)12-9-10-14-15(11-12)18(24)21(17(14)23)13-7-5-4-6-8-13/h9-11,13H,4-8H2,1-3H3,(H,20,22)
InChIKeyIPAPZIWIADYHQE-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.14
Rot. Bonds2

About N-tert-butyl-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide

N-tert-butyl-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide (PubChem CID 839422) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is N-tert-butyl-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide
PubChem CID839422
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC NameN-tert-butyl-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide
SMILESCC(C)(C)NC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O
InChIInChI=1S/C19H24N2O3/c1-19(2,3)20-16(22)12-9-10-14-15(11-12)18(24)21(17(14)23)13-7-5-4-6-8-13/h9-11,13H,4-8H2,1-3H3,(H,20,22)
InChIKeyIPAPZIWIADYHQE-UHFFFAOYSA-N
XLogP3.14
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.14
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

Thalidomide
CID 5426
(S)-Thalidomide
CID 92142
3-(1,3-Dihydro-1-oxo-2H-isoindol-2-yl)-2,6-piperidinedione
CID 91585
Isopropylphthalimide
CID 67535
Nvp-dky709
CID 137519326
Itareparib
CID 73774960
(R)-Thalidomide
CID 75792
alpha-Phthalimidopropiophenone
CID 519663
N-Cyclohexylphthalimide
CID 225739
2-(3-Methoxypropyl)-3-Oxo-2,3-Dihydro-1h-Isoindole-4-Carboxamide
CID 20854918
Cc-11006
CID 10155135
1H-Isoindole-1,3(2H)-dione, 2-(1-methylpropyl)-
CID 95380

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of N-tert-butyl-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide (CID 839422) is N-tert-butyl-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for N-tert-butyl-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for N-tert-butyl-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide is CC(C)(C)NC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O.
What is the InChIKey of N-tert-butyl-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is IPAPZIWIADYHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-19(2,3)20-16(22)12-9-10-14-15(11-12)18(24)21(17(14)23)13-7-5-4-6-8-13/h9-11,13H,4-8H2,1-3H3,(H,20,22).
What are the key properties of N-tert-butyl-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide?
N-tert-butyl-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 328.41 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 839422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).