methyl 2-[5-[(4-methoxybenzoyl)amino]-3,3-dimethyl-2-oxoindol-1-yl]acetate

C21H22N2O5 — CID 75538530

IUPACmethyl 2-[5-[(4-methoxybenzoyl)amino]-3,3-dimethyl-2-oxoindol-1-yl]acetate
SMILESCOC(=O)CN1C(=O)C(C)(C)c2cc(NC(=O)c3ccc(OC)cc3)ccc21
InChIInChI=1S/C21H22N2O5/c1-21(2)16-11-14(22-19(25)13-5-8-15(27-3)9-6-13)7-10-17(16)23(20(21)26)12-18(24)28-4/h5-11H,12H2,1-4H3,(H,22,25)
InChIKeyCTEPFFRKSUWWJU-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.74
Rot. Bonds5

About methyl 2-[5-[(4-methoxybenzoyl)amino]-3,3-dimethyl-2-oxoindol-1-yl]acetate

methyl 2-[5-[(4-methoxybenzoyl)amino]-3,3-dimethyl-2-oxoindol-1-yl]acetate (PubChem CID 75538530) has the molecular formula C21H22N2O5 and a molecular weight of 382.42 g/mol. Its IUPAC name is methyl 2-[5-[(4-methoxybenzoyl)amino]-3,3-dimethyl-2-oxoindol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-[(4-methoxybenzoyl)amino]-3,3-dimethyl-2-oxoindol-1-yl]acetate
PubChem CID75538530
Molecular FormulaC21H22N2O5
Molecular Weight382.42 g/mol
Exact Mass382.15
IUPAC Namemethyl 2-[5-[(4-methoxybenzoyl)amino]-3,3-dimethyl-2-oxoindol-1-yl]acetate
SMILESCOC(=O)CN1C(=O)C(C)(C)c2cc(NC(=O)c3ccc(OC)cc3)ccc21
InChIInChI=1S/C21H22N2O5/c1-21(2)16-11-14(22-19(25)13-5-8-15(27-3)9-6-13)7-10-17(16)23(20(21)26)12-18(24)28-4/h5-11H,12H2,1-4H3,(H,22,25)
InChIKeyCTEPFFRKSUWWJU-UHFFFAOYSA-N
XLogP2.74
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[5-[(4-fluorobenzoyl)amino]-3,3-dimethyl-2-oxoindol-1-yl]acetate
CID 75538510
methyl 2-[5-[(4-methoxyphenyl)sulfonylamino]-3,3-dimethyl-2-oxoindol-1-yl]acetate
CID 75538520
methyl 2-[3,3-dimethyl-2-oxo-5-[(2-phenoxyacetyl)amino]indol-1-yl]acetate
CID 75538532
methyl 2-[5-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonylamino)-3,3-dimethyl-2-oxoindol-1-yl]acetate
CID 91959309
N-(3-methoxyphenyl)-1,3,3-trimethyl-2-oxoindole-5-carboxamide
CID 110764410
4-[[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-N-(4-methoxyphenyl)benzamide
CID 7182046
N-(3,5-dimethoxyphenyl)-2-(3,3,5-trimethyl-2-oxoindol-1-yl)acetamide
CID 53057438
N-[4-[[(3R,3'S,5'S)-5'-(2-hydroxyethyl)-5-[(4-methoxybenzoyl)amino]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-4-methoxybenzamide
CID 23958212
N-(3-methoxyphenyl)-4-[2-(4-methoxyphenyl)-2-oxoethyl]-2,2-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 3222948
(1-ethyl-3,3-dimethyl-2-oxoindol-5-yl)thiourea
CID 169359553
N-[4-(4-acetamidoanilino)phenyl]-4-methoxybenzamide
CID 112988363
methyl 2-[4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbamoyl]phenyl]acetate
CID 155439708

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-[(4-methoxybenzoyl)amino]-3,3-dimethyl-2-oxoindol-1-yl]acetate?
The IUPAC name of methyl 2-[5-[(4-methoxybenzoyl)amino]-3,3-dimethyl-2-oxoindol-1-yl]acetate (CID 75538530) is methyl 2-[5-[(4-methoxybenzoyl)amino]-3,3-dimethyl-2-oxoindol-1-yl]acetate.
What is the SMILES notation for methyl 2-[5-[(4-methoxybenzoyl)amino]-3,3-dimethyl-2-oxoindol-1-yl]acetate?
The canonical SMILES for methyl 2-[5-[(4-methoxybenzoyl)amino]-3,3-dimethyl-2-oxoindol-1-yl]acetate is COC(=O)CN1C(=O)C(C)(C)c2cc(NC(=O)c3ccc(OC)cc3)ccc21.
What is the InChIKey of methyl 2-[5-[(4-methoxybenzoyl)amino]-3,3-dimethyl-2-oxoindol-1-yl]acetate?
The InChIKey is CTEPFFRKSUWWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5/c1-21(2)16-11-14(22-19(25)13-5-8-15(27-3)9-6-13)7-10-17(16)23(20(21)26)12-18(24)28-4/h5-11H,12H2,1-4H3,(H,22,25).
What are the key properties of methyl 2-[5-[(4-methoxybenzoyl)amino]-3,3-dimethyl-2-oxoindol-1-yl]acetate?
methyl 2-[5-[(4-methoxybenzoyl)amino]-3,3-dimethyl-2-oxoindol-1-yl]acetate has a molecular weight of 382.42 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-[(4-methoxybenzoyl)amino]-3,3-dimethyl-2-oxoindol-1-yl]acetate is sourced from PubChem (CID 75538530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).