N-tert-butyl-3-oxo-2-[(2-phenylphenyl)methyl]-1H-isoindole-1-carboxamide

C26H26N2O2 — CID 24964190

IUPACN-tert-butyl-3-oxo-2-[(2-phenylphenyl)methyl]-1H-isoindole-1-carboxamide
SMILESCC(C)(C)NC(=O)C1c2ccccc2C(=O)N1Cc1ccccc1-c1ccccc1
InChIInChI=1S/C26H26N2O2/c1-26(2,3)27-24(29)23-21-15-9-10-16-22(21)25(30)28(23)17-19-13-7-8-14-20(19)18-11-5-4-6-12-18/h4-16,23H,17H2,1-3H3,(H,27,29)
InChIKeyMHXXAZLCVMJKPJ-UHFFFAOYSA-N
MW398.51 g/mol
LogP4.97
Rot. Bonds4

About N-tert-butyl-3-oxo-2-[(2-phenylphenyl)methyl]-1H-isoindole-1-carboxamide

N-tert-butyl-3-oxo-2-[(2-phenylphenyl)methyl]-1H-isoindole-1-carboxamide (PubChem CID 24964190) has the molecular formula C26H26N2O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is N-tert-butyl-3-oxo-2-[(2-phenylphenyl)methyl]-1H-isoindole-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-3-oxo-2-[(2-phenylphenyl)methyl]-1H-isoindole-1-carboxamide
PubChem CID24964190
Molecular FormulaC26H26N2O2
Molecular Weight398.51 g/mol
Exact Mass398.20
IUPAC NameN-tert-butyl-3-oxo-2-[(2-phenylphenyl)methyl]-1H-isoindole-1-carboxamide
SMILESCC(C)(C)NC(=O)C1c2ccccc2C(=O)N1Cc1ccccc1-c1ccccc1
InChIInChI=1S/C26H26N2O2/c1-26(2,3)27-24(29)23-21-15-9-10-16-22(21)25(30)28(23)17-19-13-7-8-14-20(19)18-11-5-4-6-12-18/h4-16,23H,17H2,1-3H3,(H,27,29)
InChIKeyMHXXAZLCVMJKPJ-UHFFFAOYSA-N
XLogP4.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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
Nvp-dky709
CID 137519326
(R)-Thalidomide
CID 75792
alpha-Phthalimidopropiophenone
CID 519663
Cc-11006
CID 10155135
2-Phthalimidoacetamide
CID 21053
N-(2-Oxo-3-piperidyl)phthalimide
CID 135339
N-Methylthalidomide
CID 101195
1H-Isoindole-1,3(2H)-dione, 2-(2,6-dioxo-3-piperidinyl)-4-fluoro-
CID 11859051
2-(2,6-dioxopiperidin-3-yl)-5-fluoro-2,3-dihydro-1H-isoindole-1,3-dione
CID 70876201

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-oxo-2-[(2-phenylphenyl)methyl]-1H-isoindole-1-carboxamide?
The IUPAC name of N-tert-butyl-3-oxo-2-[(2-phenylphenyl)methyl]-1H-isoindole-1-carboxamide (CID 24964190) is N-tert-butyl-3-oxo-2-[(2-phenylphenyl)methyl]-1H-isoindole-1-carboxamide.
What is the SMILES notation for N-tert-butyl-3-oxo-2-[(2-phenylphenyl)methyl]-1H-isoindole-1-carboxamide?
The canonical SMILES for N-tert-butyl-3-oxo-2-[(2-phenylphenyl)methyl]-1H-isoindole-1-carboxamide is CC(C)(C)NC(=O)C1c2ccccc2C(=O)N1Cc1ccccc1-c1ccccc1.
What is the InChIKey of N-tert-butyl-3-oxo-2-[(2-phenylphenyl)methyl]-1H-isoindole-1-carboxamide?
The InChIKey is MHXXAZLCVMJKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O2/c1-26(2,3)27-24(29)23-21-15-9-10-16-22(21)25(30)28(23)17-19-13-7-8-14-20(19)18-11-5-4-6-12-18/h4-16,23H,17H2,1-3H3,(H,27,29).
What are the key properties of N-tert-butyl-3-oxo-2-[(2-phenylphenyl)methyl]-1H-isoindole-1-carboxamide?
N-tert-butyl-3-oxo-2-[(2-phenylphenyl)methyl]-1H-isoindole-1-carboxamide has a molecular weight of 398.51 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-oxo-2-[(2-phenylphenyl)methyl]-1H-isoindole-1-carboxamide is sourced from PubChem (CID 24964190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).