N-tert-butyl-2-(6-methoxy-1-oxo-3H-benzo[f]isoindol-2-yl)-2-phenylacetamide

C25H26N2O3 — CID 102337309

IUPACN-tert-butyl-2-(6-methoxy-1-oxo-3H-benzo[f]isoindol-2-yl)-2-phenylacetamide
SMILESCOc1ccc2cc3c(cc2c1)CN(C(C(=O)NC(C)(C)C)c1ccccc1)C3=O
InChIInChI=1S/C25H26N2O3/c1-25(2,3)26-23(28)22(16-8-6-5-7-9-16)27-15-19-12-18-13-20(30-4)11-10-17(18)14-21(19)24(27)29/h5-14,22H,15H2,1-4H3,(H,26,28)
InChIKeyNQJOUGSGXRTOAT-UHFFFAOYSA-N
MW402.49 g/mol
LogP4.46
Rot. Bonds4

About N-tert-butyl-2-(6-methoxy-1-oxo-3H-benzo[f]isoindol-2-yl)-2-phenylacetamide

N-tert-butyl-2-(6-methoxy-1-oxo-3H-benzo[f]isoindol-2-yl)-2-phenylacetamide (PubChem CID 102337309) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is N-tert-butyl-2-(6-methoxy-1-oxo-3H-benzo[f]isoindol-2-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(6-methoxy-1-oxo-3H-benzo[f]isoindol-2-yl)-2-phenylacetamide
PubChem CID102337309
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC NameN-tert-butyl-2-(6-methoxy-1-oxo-3H-benzo[f]isoindol-2-yl)-2-phenylacetamide
SMILESCOc1ccc2cc3c(cc2c1)CN(C(C(=O)NC(C)(C)C)c1ccccc1)C3=O
InChIInChI=1S/C25H26N2O3/c1-25(2,3)26-23(28)22(16-8-6-5-7-9-16)27-15-19-12-18-13-20(30-4)11-10-17(18)14-21(19)24(27)29/h5-14,22H,15H2,1-4H3,(H,26,28)
InChIKeyNQJOUGSGXRTOAT-UHFFFAOYSA-N
XLogP4.46
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(4-methoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)acetate
CID 101264163
N-tert-butyl-2-[5-[2-(tert-butylamino)-2-oxo-1-phenylethyl]-6,12-dioxobenzo[c][1,5]benzodiazocin-11-yl]-2-phenylacetamide
CID 15355771
2-propan-2-yl-1H-benzo[f]isoindol-3-one
CID 12844980
(2R)-N-(5-acetamido-2-methoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide
CID 97263101
2-[(1S)-2-oxo-1-phenylpropyl]-3H-isoindol-1-one
CID 118594278
methyl (2R)-2-amino-2-phenylacetate;methyl (2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetate
CID 161202330
N-tert-butyl-2-(1,4-dioxo-3H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 71507273
3-hydroxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide
CID 175744186
(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-(2-phenylethyl)acetamide
CID 6622459
(7-methoxynaphthalen-2-yl) N-tert-butylcarbamate
CID 174705376
N-tert-butyl-3-(4-methoxyphenyl)-3-phenylpropanamide
CID 2920507
(4S)-N-tert-butyl-4-(4-methoxyphenyl)-2-oxo-4-phenylbutanamide
CID 134950823

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(6-methoxy-1-oxo-3H-benzo[f]isoindol-2-yl)-2-phenylacetamide?
The IUPAC name of N-tert-butyl-2-(6-methoxy-1-oxo-3H-benzo[f]isoindol-2-yl)-2-phenylacetamide (CID 102337309) is N-tert-butyl-2-(6-methoxy-1-oxo-3H-benzo[f]isoindol-2-yl)-2-phenylacetamide.
What is the SMILES notation for N-tert-butyl-2-(6-methoxy-1-oxo-3H-benzo[f]isoindol-2-yl)-2-phenylacetamide?
The canonical SMILES for N-tert-butyl-2-(6-methoxy-1-oxo-3H-benzo[f]isoindol-2-yl)-2-phenylacetamide is COc1ccc2cc3c(cc2c1)CN(C(C(=O)NC(C)(C)C)c1ccccc1)C3=O.
What is the InChIKey of N-tert-butyl-2-(6-methoxy-1-oxo-3H-benzo[f]isoindol-2-yl)-2-phenylacetamide?
The InChIKey is NQJOUGSGXRTOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-25(2,3)26-23(28)22(16-8-6-5-7-9-16)27-15-19-12-18-13-20(30-4)11-10-17(18)14-21(19)24(27)29/h5-14,22H,15H2,1-4H3,(H,26,28).
What are the key properties of N-tert-butyl-2-(6-methoxy-1-oxo-3H-benzo[f]isoindol-2-yl)-2-phenylacetamide?
N-tert-butyl-2-(6-methoxy-1-oxo-3H-benzo[f]isoindol-2-yl)-2-phenylacetamide has a molecular weight of 402.49 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(6-methoxy-1-oxo-3H-benzo[f]isoindol-2-yl)-2-phenylacetamide is sourced from PubChem (CID 102337309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).