ethyl 2-(ethoxycarbonylamino)-2-(1-methyl-2-oxo-3H-indol-3-yl)acetate

C16H20N2O5 — CID 44613236

IUPACethyl 2-(ethoxycarbonylamino)-2-(1-methyl-2-oxo-3H-indol-3-yl)acetate
SMILESCCOC(=O)NC(C(=O)OCC)C1C(=O)N(C)c2ccccc21
InChIInChI=1S/C16H20N2O5/c1-4-22-15(20)13(17-16(21)23-5-2)12-10-8-6-7-9-11(10)18(3)14(12)19/h6-9,12-13H,4-5H2,1-3H3,(H,17,21)
InChIKeyXNZVDSLDAMDIPE-UHFFFAOYSA-N
MW320.35 g/mol
LogP1.42
Rot. Bonds5

About ethyl 2-(ethoxycarbonylamino)-2-(1-methyl-2-oxo-3H-indol-3-yl)acetate

ethyl 2-(ethoxycarbonylamino)-2-(1-methyl-2-oxo-3H-indol-3-yl)acetate (PubChem CID 44613236) has the molecular formula C16H20N2O5 and a molecular weight of 320.35 g/mol. Its IUPAC name is ethyl 2-(ethoxycarbonylamino)-2-(1-methyl-2-oxo-3H-indol-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(ethoxycarbonylamino)-2-(1-methyl-2-oxo-3H-indol-3-yl)acetate
PubChem CID44613236
Molecular FormulaC16H20N2O5
Molecular Weight320.35 g/mol
Exact Mass320.14
IUPAC Nameethyl 2-(ethoxycarbonylamino)-2-(1-methyl-2-oxo-3H-indol-3-yl)acetate
SMILESCCOC(=O)NC(C(=O)OCC)C1C(=O)N(C)c2ccccc21
InChIInChI=1S/C16H20N2O5/c1-4-22-15(20)13(17-16(21)23-5-2)12-10-8-6-7-9-11(10)18(3)14(12)19/h6-9,12-13H,4-5H2,1-3H3,(H,17,21)
InChIKeyXNZVDSLDAMDIPE-UHFFFAOYSA-N
XLogP1.42
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (Z,4R)-2-acetyloxy-5-methyl-4-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]hex-2-enoate
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(2R)-2-cyano-N-(2-methoxyethyl)-2-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]acetamide
CID 94896726
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3-(hexan-2-ylamino)-1-methyl-3H-indol-2-one
CID 114999516
(3R)-3-ethyl-1-methyl-3H-indol-2-one
CID 51382688
methyl 3-(1-methyl-2-oxo-3H-indol-3-yl)propanoate
CID 14956192
ethyl 4-methyl-3-oxo-1,4-benzoxazine-2-carboxylate
CID 10657388
3-(butylamino)-1-methyl-3H-indol-2-one
CID 82238881
ethyl 2-(9H-fluoren-9-yl)-3-methylbutanoate
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ethyl 2-(4-hydroxy-2-oxo-1-propyl-3,4-dihydroquinolin-3-yl)acetate
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9H-fluoren-9-ylmethyl N-heptan-2-ylcarbamate
CID 118461270

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(ethoxycarbonylamino)-2-(1-methyl-2-oxo-3H-indol-3-yl)acetate?
The IUPAC name of ethyl 2-(ethoxycarbonylamino)-2-(1-methyl-2-oxo-3H-indol-3-yl)acetate (CID 44613236) is ethyl 2-(ethoxycarbonylamino)-2-(1-methyl-2-oxo-3H-indol-3-yl)acetate.
What is the SMILES notation for ethyl 2-(ethoxycarbonylamino)-2-(1-methyl-2-oxo-3H-indol-3-yl)acetate?
The canonical SMILES for ethyl 2-(ethoxycarbonylamino)-2-(1-methyl-2-oxo-3H-indol-3-yl)acetate is CCOC(=O)NC(C(=O)OCC)C1C(=O)N(C)c2ccccc21.
What is the InChIKey of ethyl 2-(ethoxycarbonylamino)-2-(1-methyl-2-oxo-3H-indol-3-yl)acetate?
The InChIKey is XNZVDSLDAMDIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5/c1-4-22-15(20)13(17-16(21)23-5-2)12-10-8-6-7-9-11(10)18(3)14(12)19/h6-9,12-13H,4-5H2,1-3H3,(H,17,21).
What are the key properties of ethyl 2-(ethoxycarbonylamino)-2-(1-methyl-2-oxo-3H-indol-3-yl)acetate?
ethyl 2-(ethoxycarbonylamino)-2-(1-methyl-2-oxo-3H-indol-3-yl)acetate has a molecular weight of 320.35 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(ethoxycarbonylamino)-2-(1-methyl-2-oxo-3H-indol-3-yl)acetate is sourced from PubChem (CID 44613236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).