N-[[2-(2-amino-2-oxoethoxy)-4-cyanophenyl]methyl]-2-ethoxy-2-(7-methyl-3-oxo-1H-isoindol-2-yl)acetamide

C23H24N4O5 — CID 22064659

IUPACN-[[2-(2-amino-2-oxoethoxy)-4-cyanophenyl]methyl]-2-ethoxy-2-(7-methyl-3-oxo-1H-isoindol-2-yl)acetamide
SMILESCCOC(C(=O)NCc1ccc(C#N)cc1OCC(N)=O)N1Cc2c(C)cccc2C1=O
InChIInChI=1S/C23H24N4O5/c1-3-31-23(27-12-18-14(2)5-4-6-17(18)22(27)30)21(29)26-11-16-8-7-15(10-24)9-19(16)32-13-20(25)28/h4-9,23H,3,11-13H2,1-2H3,(H2,25,28)(H,26,29)
InChIKeyOEZSDEDBCYURHF-UHFFFAOYSA-N
MW436.47 g/mol
LogP1.37
Rot. Bonds9

About N-[[2-(2-amino-2-oxoethoxy)-4-cyanophenyl]methyl]-2-ethoxy-2-(7-methyl-3-oxo-1H-isoindol-2-yl)acetamide

N-[[2-(2-amino-2-oxoethoxy)-4-cyanophenyl]methyl]-2-ethoxy-2-(7-methyl-3-oxo-1H-isoindol-2-yl)acetamide (PubChem CID 22064659) has the molecular formula C23H24N4O5 and a molecular weight of 436.47 g/mol. Its IUPAC name is N-[[2-(2-amino-2-oxoethoxy)-4-cyanophenyl]methyl]-2-ethoxy-2-(7-methyl-3-oxo-1H-isoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-[[2-(2-amino-2-oxoethoxy)-4-cyanophenyl]methyl]-2-ethoxy-2-(7-methyl-3-oxo-1H-isoindol-2-yl)acetamide
PubChem CID22064659
Molecular FormulaC23H24N4O5
Molecular Weight436.47 g/mol
Exact Mass436.17
IUPAC NameN-[[2-(2-amino-2-oxoethoxy)-4-cyanophenyl]methyl]-2-ethoxy-2-(7-methyl-3-oxo-1H-isoindol-2-yl)acetamide
SMILESCCOC(C(=O)NCc1ccc(C#N)cc1OCC(N)=O)N1Cc2c(C)cccc2C1=O
InChIInChI=1S/C23H24N4O5/c1-3-31-23(27-12-18-14(2)5-4-6-17(18)22(27)30)21(29)26-11-16-8-7-15(10-24)9-19(16)32-13-20(25)28/h4-9,23H,3,11-13H2,1-2H3,(H2,25,28)(H,26,29)
InChIKeyOEZSDEDBCYURHF-UHFFFAOYSA-N
XLogP1.37
TPSA134.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

acetic acid;N-[[2-(2-amino-2-oxoethoxy)-4-carbamimidoylphenyl]methyl]-2-ethoxy-2-(4-methyl-1,3-dioxoisoindol-2-yl)acetamide
CID 11237829
N-[[2-(2-amino-2-oxoethoxy)-4-cyanophenyl]methyl]-3-fluorobenzamide
CID 58653948
N-[[2-(2-amino-2-oxoethoxy)-4-(N'-hydroxycarbamimidoyl)phenyl]methyl]-2-(3-anilino-2-oxo-1-pyridinyl)-2-ethoxyacetamide
CID 72758784
[4-cyano-2-[2-(methylamino)-2-oxoethoxy]phenyl]methylcarbamic acid
CID 154365722
3-amino-N-[[2-(2-amino-2-oxoethoxy)-4-cyanophenyl]methyl]-5-chloro-4-fluorobenzamide
CID 58654038
acetic acid;N-[(4-carbamimidoylphenyl)methyl]-2-ethoxy-2-(4-methyl-3-oxo-1H-isoindol-2-yl)acetamide
CID 11305250
3-[2-(3-methoxyphenyl)-2-oxoethoxy]-4-methylbenzonitrile
CID 103760397
3-[2-(3-chlorophenyl)-2-oxoethoxy]-4-methylbenzonitrile
CID 103760387
acetic acid;N-[[4-carbamimidoyl-2-(ethylamino)phenyl]methyl]-2-ethoxy-2-(6-methoxy-3-oxo-1H-isoindol-2-yl)acetamide
CID 22064645
ethyl 2-[2-[[[3-[benzyl(methylsulfonyl)amino]-5-chlorobenzoyl]amino]methyl]-5-cyanophenoxy]acetate
CID 69342178
N-[[4-carbamimidoyl-2-[(2-fluorophenyl)methylamino]phenyl]methyl]-2-ethoxy-2-(3-oxo-5-piperidin-1-yl-1H-isoindol-2-yl)acetamide
CID 11227454
acetic acid;N-[[4-carbamimidoyl-2-[(2-fluorophenyl)methylamino]phenyl]methyl]-2-(5-chloro-3-oxo-1H-isoindol-2-yl)-2-ethoxyacetamide
CID 11410651

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-amino-2-oxoethoxy)-4-cyanophenyl]methyl]-2-ethoxy-2-(7-methyl-3-oxo-1H-isoindol-2-yl)acetamide?
The IUPAC name of N-[[2-(2-amino-2-oxoethoxy)-4-cyanophenyl]methyl]-2-ethoxy-2-(7-methyl-3-oxo-1H-isoindol-2-yl)acetamide (CID 22064659) is N-[[2-(2-amino-2-oxoethoxy)-4-cyanophenyl]methyl]-2-ethoxy-2-(7-methyl-3-oxo-1H-isoindol-2-yl)acetamide.
What is the SMILES notation for N-[[2-(2-amino-2-oxoethoxy)-4-cyanophenyl]methyl]-2-ethoxy-2-(7-methyl-3-oxo-1H-isoindol-2-yl)acetamide?
The canonical SMILES for N-[[2-(2-amino-2-oxoethoxy)-4-cyanophenyl]methyl]-2-ethoxy-2-(7-methyl-3-oxo-1H-isoindol-2-yl)acetamide is CCOC(C(=O)NCc1ccc(C#N)cc1OCC(N)=O)N1Cc2c(C)cccc2C1=O.
What is the InChIKey of N-[[2-(2-amino-2-oxoethoxy)-4-cyanophenyl]methyl]-2-ethoxy-2-(7-methyl-3-oxo-1H-isoindol-2-yl)acetamide?
The InChIKey is OEZSDEDBCYURHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O5/c1-3-31-23(27-12-18-14(2)5-4-6-17(18)22(27)30)21(29)26-11-16-8-7-15(10-24)9-19(16)32-13-20(25)28/h4-9,23H,3,11-13H2,1-2H3,(H2,25,28)(H,26,29).
What are the key properties of N-[[2-(2-amino-2-oxoethoxy)-4-cyanophenyl]methyl]-2-ethoxy-2-(7-methyl-3-oxo-1H-isoindol-2-yl)acetamide?
N-[[2-(2-amino-2-oxoethoxy)-4-cyanophenyl]methyl]-2-ethoxy-2-(7-methyl-3-oxo-1H-isoindol-2-yl)acetamide has a molecular weight of 436.47 g/mol, XLogP of 1.37, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-amino-2-oxoethoxy)-4-cyanophenyl]methyl]-2-ethoxy-2-(7-methyl-3-oxo-1H-isoindol-2-yl)acetamide is sourced from PubChem (CID 22064659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).