N-tert-butyl-2-(1-naphthalen-2-ylethyl)-3-oxo-1H-isoindole-1-carboxamide

C25H26N2O2 — CID 68773680

IUPACN-tert-butyl-2-(1-naphthalen-2-ylethyl)-3-oxo-1H-isoindole-1-carboxamide
SMILESCC(c1ccc2ccccc2c1)N1C(=O)c2ccccc2C1C(=O)NC(C)(C)C
InChIInChI=1S/C25H26N2O2/c1-16(18-14-13-17-9-5-6-10-19(17)15-18)27-22(23(28)26-25(2,3)4)20-11-7-8-12-21(20)24(27)29/h5-16,22H,1-4H3,(H,26,28)
InChIKeyXWJKJIHUGIKTFX-UHFFFAOYSA-N
MW386.50 g/mol
LogP5.01
Rot. Bonds3

About N-tert-butyl-2-(1-naphthalen-2-ylethyl)-3-oxo-1H-isoindole-1-carboxamide

N-tert-butyl-2-(1-naphthalen-2-ylethyl)-3-oxo-1H-isoindole-1-carboxamide (PubChem CID 68773680) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-tert-butyl-2-(1-naphthalen-2-ylethyl)-3-oxo-1H-isoindole-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-(1-naphthalen-2-ylethyl)-3-oxo-1H-isoindole-1-carboxamide
PubChem CID68773680
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC NameN-tert-butyl-2-(1-naphthalen-2-ylethyl)-3-oxo-1H-isoindole-1-carboxamide
SMILESCC(c1ccc2ccccc2c1)N1C(=O)c2ccccc2C1C(=O)NC(C)(C)C
InChIInChI=1S/C25H26N2O2/c1-16(18-14-13-17-9-5-6-10-19(17)15-18)27-22(23(28)26-25(2,3)4)20-11-7-8-12-21(20)24(27)29/h5-16,22H,1-4H3,(H,26,28)
InChIKeyXWJKJIHUGIKTFX-UHFFFAOYSA-N
XLogP5.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.50
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-3-oxo-2-(1-phenylethyl)-1H-isoindole-1-carboxamide
CID 68775440
2-butan-2-yl-N-tert-butyl-5-iodo-3-oxo-1H-isoindole-1-carboxamide
CID 66524204
6-chloro-N-methyl-3-oxo-2-[(1R)-1-phenylethyl]-1H-isoindole-1-carboxamide
CID 68771729
2-[1-(3-fluorophenyl)ethyl]-3-hydroxy-3H-isoindol-1-one
CID 141211060
N-tert-butyl-6-cyclohexyl-5-oxo-7H-benzo[d][2]benzazepine-7-carboxamide
CID 53243914
N-tert-butyl-3-oxo-2-[(1R)-1-phenylethyl]-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide
CID 162408920
(1R)-6-chloro-N-ethyl-3-oxo-2-(1-phenylethyl)-1H-isoindole-1-carboxamide
CID 24965263
N-tert-butyl-5-oxo-6-[(2,4,6-trimethylphenyl)methyl]-7H-benzo[d][2]benzazepine-7-carboxamide
CID 52918047
tert-butyl N-(1-naphthalen-2-ylethyl)carbamate
CID 70974235
N-tert-butyl-2-[(5-fluoro-2-phenylphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide
CID 68770301
(2S)-2-[9H-fluoren-9-yl(methoxycarbonyl)amino]-2-naphthalen-2-ylacetic acid
CID 99909243
methyl 2-hydroxy-3-methyl-2-(1-naphthalen-2-ylethyl)butanoate
CID 79304282

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(1-naphthalen-2-ylethyl)-3-oxo-1H-isoindole-1-carboxamide?
The IUPAC name of N-tert-butyl-2-(1-naphthalen-2-ylethyl)-3-oxo-1H-isoindole-1-carboxamide (CID 68773680) is N-tert-butyl-2-(1-naphthalen-2-ylethyl)-3-oxo-1H-isoindole-1-carboxamide.
What is the SMILES notation for N-tert-butyl-2-(1-naphthalen-2-ylethyl)-3-oxo-1H-isoindole-1-carboxamide?
The canonical SMILES for N-tert-butyl-2-(1-naphthalen-2-ylethyl)-3-oxo-1H-isoindole-1-carboxamide is CC(c1ccc2ccccc2c1)N1C(=O)c2ccccc2C1C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-(1-naphthalen-2-ylethyl)-3-oxo-1H-isoindole-1-carboxamide?
The InChIKey is XWJKJIHUGIKTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2/c1-16(18-14-13-17-9-5-6-10-19(17)15-18)27-22(23(28)26-25(2,3)4)20-11-7-8-12-21(20)24(27)29/h5-16,22H,1-4H3,(H,26,28).
What are the key properties of N-tert-butyl-2-(1-naphthalen-2-ylethyl)-3-oxo-1H-isoindole-1-carboxamide?
N-tert-butyl-2-(1-naphthalen-2-ylethyl)-3-oxo-1H-isoindole-1-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 5.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(1-naphthalen-2-ylethyl)-3-oxo-1H-isoindole-1-carboxamide is sourced from PubChem (CID 68773680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).