N-methyl-2-[3-oxo-2-(4-propan-2-ylphenyl)-1H-isoindol-5-yl]-N-propan-2-ylacetamide

C23H28N2O2 — CID 149484178

IUPACN-methyl-2-[3-oxo-2-(4-propan-2-ylphenyl)-1H-isoindol-5-yl]-N-propan-2-ylacetamide
SMILESCC(C)c1ccc(N2Cc3ccc(CC(=O)N(C)C(C)C)cc3C2=O)cc1
InChIInChI=1S/C23H28N2O2/c1-15(2)18-8-10-20(11-9-18)25-14-19-7-6-17(12-21(19)23(25)27)13-22(26)24(5)16(3)4/h6-12,15-16H,13-14H2,1-5H3
InChIKeyZDVPDKVMRKOQQM-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.38
Rot. Bonds5

About N-methyl-2-[3-oxo-2-(4-propan-2-ylphenyl)-1H-isoindol-5-yl]-N-propan-2-ylacetamide

N-methyl-2-[3-oxo-2-(4-propan-2-ylphenyl)-1H-isoindol-5-yl]-N-propan-2-ylacetamide (PubChem CID 149484178) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-methyl-2-[3-oxo-2-(4-propan-2-ylphenyl)-1H-isoindol-5-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-methyl-2-[3-oxo-2-(4-propan-2-ylphenyl)-1H-isoindol-5-yl]-N-propan-2-ylacetamide
PubChem CID149484178
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC NameN-methyl-2-[3-oxo-2-(4-propan-2-ylphenyl)-1H-isoindol-5-yl]-N-propan-2-ylacetamide
SMILESCC(C)c1ccc(N2Cc3ccc(CC(=O)N(C)C(C)C)cc3C2=O)cc1
InChIInChI=1S/C23H28N2O2/c1-15(2)18-8-10-20(11-9-18)25-14-19-7-6-17(12-21(19)23(25)27)13-22(26)24(5)16(3)4/h6-12,15-16H,13-14H2,1-5H3
InChIKeyZDVPDKVMRKOQQM-UHFFFAOYSA-N
XLogP4.38
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl 2-[4-(5-benzyl-3-oxo-1H-isoindol-2-yl)phenyl]propanoate
CID 159897298
N-methyl-5-oxo-N-propan-2-yl-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 46705245
2-(4-ethoxyphenyl)-3-oxo-1H-isoindole-5-carboxylic acid
CID 20854774
2-(4-bromophenyl)-N-methyl-N-propan-2-ylacetamide
CID 78843902
(2S)-2-[4-(6-hydroxy-3-oxo-1H-isoindol-2-yl)phenyl]butanoic acid
CID 177469287
N-(benzenesulfonyl)-2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]propanamide
CID 24757472
(2S)-2-methyl-3-[methyl-[2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]amino]propanoic acid
CID 124689242
6-ethyl-2-propan-2-yl-3H-isoindol-1-one
CID 71066779
tert-butyl 2-[4-[3-oxo-5-[(Z)-prop-1-enyl]-1H-isoindol-2-yl]phenyl]propanoate;ethane
CID 143544823
2-(2,3-dihydro-1H-inden-5-yl)-N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 71902108
2-(2,3-dihydro-1H-inden-5-yl)-N-methyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 9471276
methyl 3-oxo-4-(4-propan-2-ylphenyl)-5H-1,4-benzoxazepine-7-carboxylate
CID 139023814

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[3-oxo-2-(4-propan-2-ylphenyl)-1H-isoindol-5-yl]-N-propan-2-ylacetamide?
The IUPAC name of N-methyl-2-[3-oxo-2-(4-propan-2-ylphenyl)-1H-isoindol-5-yl]-N-propan-2-ylacetamide (CID 149484178) is N-methyl-2-[3-oxo-2-(4-propan-2-ylphenyl)-1H-isoindol-5-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for N-methyl-2-[3-oxo-2-(4-propan-2-ylphenyl)-1H-isoindol-5-yl]-N-propan-2-ylacetamide?
The canonical SMILES for N-methyl-2-[3-oxo-2-(4-propan-2-ylphenyl)-1H-isoindol-5-yl]-N-propan-2-ylacetamide is CC(C)c1ccc(N2Cc3ccc(CC(=O)N(C)C(C)C)cc3C2=O)cc1.
What is the InChIKey of N-methyl-2-[3-oxo-2-(4-propan-2-ylphenyl)-1H-isoindol-5-yl]-N-propan-2-ylacetamide?
The InChIKey is ZDVPDKVMRKOQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-15(2)18-8-10-20(11-9-18)25-14-19-7-6-17(12-21(19)23(25)27)13-22(26)24(5)16(3)4/h6-12,15-16H,13-14H2,1-5H3.
What are the key properties of N-methyl-2-[3-oxo-2-(4-propan-2-ylphenyl)-1H-isoindol-5-yl]-N-propan-2-ylacetamide?
N-methyl-2-[3-oxo-2-(4-propan-2-ylphenyl)-1H-isoindol-5-yl]-N-propan-2-ylacetamide has a molecular weight of 364.49 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[3-oxo-2-(4-propan-2-ylphenyl)-1H-isoindol-5-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 149484178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).