methyl 2-[3,3-dimethyl-2-oxo-5-[(2-phenoxyacetyl)amino]indol-1-yl]acetate

C21H22N2O5 — CID 75538532

IUPACmethyl 2-[3,3-dimethyl-2-oxo-5-[(2-phenoxyacetyl)amino]indol-1-yl]acetate
SMILESCOC(=O)CN1C(=O)C(C)(C)c2cc(NC(=O)COc3ccccc3)ccc21
InChIInChI=1S/C21H22N2O5/c1-21(2)16-11-14(22-18(24)13-28-15-7-5-4-6-8-15)9-10-17(16)23(20(21)26)12-19(25)27-3/h4-11H,12-13H2,1-3H3,(H,22,24)
InChIKeyQDESKTOREWFBCX-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.50
Rot. Bonds6

About methyl 2-[3,3-dimethyl-2-oxo-5-[(2-phenoxyacetyl)amino]indol-1-yl]acetate

methyl 2-[3,3-dimethyl-2-oxo-5-[(2-phenoxyacetyl)amino]indol-1-yl]acetate (PubChem CID 75538532) has the molecular formula C21H22N2O5 and a molecular weight of 382.42 g/mol. Its IUPAC name is methyl 2-[3,3-dimethyl-2-oxo-5-[(2-phenoxyacetyl)amino]indol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[3,3-dimethyl-2-oxo-5-[(2-phenoxyacetyl)amino]indol-1-yl]acetate
PubChem CID75538532
Molecular FormulaC21H22N2O5
Molecular Weight382.42 g/mol
Exact Mass382.15
IUPAC Namemethyl 2-[3,3-dimethyl-2-oxo-5-[(2-phenoxyacetyl)amino]indol-1-yl]acetate
SMILESCOC(=O)CN1C(=O)C(C)(C)c2cc(NC(=O)COc3ccccc3)ccc21
InChIInChI=1S/C21H22N2O5/c1-21(2)16-11-14(22-18(24)13-28-15-7-5-4-6-8-15)9-10-17(16)23(20(21)26)12-19(25)27-3/h4-11H,12-13H2,1-3H3,(H,22,24)
InChIKeyQDESKTOREWFBCX-UHFFFAOYSA-N
XLogP2.50
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[5-[(4-methoxybenzoyl)amino]-3,3-dimethyl-2-oxoindol-1-yl]acetate
CID 75538530
methyl 2-[5-(3-cyclopentylpropanoylamino)-3,3-dimethyl-2-oxoindol-1-yl]acetate
CID 75538513
N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2-phenoxyacetamide
CID 16828121
N-(4-acetamidophenyl)-2-phenoxyacetamide
CID 675023
N-[3-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide
CID 17231339
N-(1,3-dioxoisoindol-5-yl)-2-phenoxyacetamide
CID 881938
N-(3-hydroxy-4-methylphenyl)-2-phenoxyacetamide
CID 837184
N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-2-phenoxyacetamide
CID 2995302
2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide
CID 53057407
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-2-phenoxyacetamide
CID 7527152
2-(4-methoxyphenoxy)-N-(4-phenoxyphenyl)acetamide
CID 833180
2-[4-(3,5-dimethylphenoxy)phenoxy]-N-(4-phenoxyphenyl)acetamide
CID 18870478

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3,3-dimethyl-2-oxo-5-[(2-phenoxyacetyl)amino]indol-1-yl]acetate?
The IUPAC name of methyl 2-[3,3-dimethyl-2-oxo-5-[(2-phenoxyacetyl)amino]indol-1-yl]acetate (CID 75538532) is methyl 2-[3,3-dimethyl-2-oxo-5-[(2-phenoxyacetyl)amino]indol-1-yl]acetate.
What is the SMILES notation for methyl 2-[3,3-dimethyl-2-oxo-5-[(2-phenoxyacetyl)amino]indol-1-yl]acetate?
The canonical SMILES for methyl 2-[3,3-dimethyl-2-oxo-5-[(2-phenoxyacetyl)amino]indol-1-yl]acetate is COC(=O)CN1C(=O)C(C)(C)c2cc(NC(=O)COc3ccccc3)ccc21.
What is the InChIKey of methyl 2-[3,3-dimethyl-2-oxo-5-[(2-phenoxyacetyl)amino]indol-1-yl]acetate?
The InChIKey is QDESKTOREWFBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5/c1-21(2)16-11-14(22-18(24)13-28-15-7-5-4-6-8-15)9-10-17(16)23(20(21)26)12-19(25)27-3/h4-11H,12-13H2,1-3H3,(H,22,24).
What are the key properties of methyl 2-[3,3-dimethyl-2-oxo-5-[(2-phenoxyacetyl)amino]indol-1-yl]acetate?
methyl 2-[3,3-dimethyl-2-oxo-5-[(2-phenoxyacetyl)amino]indol-1-yl]acetate has a molecular weight of 382.42 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3,3-dimethyl-2-oxo-5-[(2-phenoxyacetyl)amino]indol-1-yl]acetate is sourced from PubChem (CID 75538532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).