ethyl 3-(1,3-dioxoisoindol-2-yl)-3-(4-methoxy-2-pyridinyl)propanoate

C19H18N2O5 — CID 142676179

IUPACethyl 3-(1,3-dioxoisoindol-2-yl)-3-(4-methoxy-2-pyridinyl)propanoate
SMILESCCOC(=O)CC(c1cc(OC)ccn1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H18N2O5/c1-3-26-17(22)11-16(15-10-12(25-2)8-9-20-15)21-18(23)13-6-4-5-7-14(13)19(21)24/h4-10,16H,3,11H2,1-2H3
InChIKeyBJWXIDNZFHGDPD-UHFFFAOYSA-N
MW354.36 g/mol
LogP2.38
Rot. Bonds6

About ethyl 3-(1,3-dioxoisoindol-2-yl)-3-(4-methoxy-2-pyridinyl)propanoate

ethyl 3-(1,3-dioxoisoindol-2-yl)-3-(4-methoxy-2-pyridinyl)propanoate (PubChem CID 142676179) has the molecular formula C19H18N2O5 and a molecular weight of 354.36 g/mol. Its IUPAC name is ethyl 3-(1,3-dioxoisoindol-2-yl)-3-(4-methoxy-2-pyridinyl)propanoate.

Molecular Properties

Compound Nameethyl 3-(1,3-dioxoisoindol-2-yl)-3-(4-methoxy-2-pyridinyl)propanoate
PubChem CID142676179
Molecular FormulaC19H18N2O5
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC Nameethyl 3-(1,3-dioxoisoindol-2-yl)-3-(4-methoxy-2-pyridinyl)propanoate
SMILESCCOC(=O)CC(c1cc(OC)ccn1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H18N2O5/c1-3-26-17(22)11-16(15-10-12(25-2)8-9-20-15)21-18(23)13-6-4-5-7-14(13)19(21)24/h4-10,16H,3,11H2,1-2H3
InChIKeyBJWXIDNZFHGDPD-UHFFFAOYSA-N
XLogP2.38
TPSA85.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-(1,3-dioxoisoindol-2-yl)-3-(4-methylphenyl)propanoate
CID 46253541
(2S)-2-(1,3-dioxoisoindol-2-yl)-5-ethoxy-5-oxopentanoic acid
CID 18640718
2-(1,3-dioxoisoindol-2-yl)-5-ethoxy-5-oxopentanoic acid
CID 19812261
3-(1,3-dioxoisoindol-2-yl)-3-(4-methoxyphenyl)propanoic acid
CID 3121010
3-(2,4-dimethoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)-N-ethylpropanamide
CID 142676187
ethyl 2-(1,3-dioxoisoindol-2-yl)-3,3,3-trifluoropropanoate
CID 53378073
ethyl (3S)-3-hydroxy-3-(4-methyl-2-pyridinyl)propanoate
CID 90379419
ethyl 3-(4-acetamido-1,3-dioxoisoindol-2-yl)-3-(3-ethoxy-4-methoxyphenyl)propanoate
CID 151537307
ethyl (3S)-3-(4-acetamido-1,3-dioxoisoindol-2-yl)-3-(3-ethoxy-4-methoxyphenyl)propanoate
CID 153353207
ethyl (2R)-4-(1,3-dioxoisoindol-2-yl)-2-hydroxy-3,3-dimethylbutanoate
CID 830896
3-(1,3-dioxoisoindol-2-yl)-3-(3-ethoxy-4-methoxyphenyl)-N-hydroxypropanamide
CID 162114857
methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-4-hydroxybutanoate
CID 11139950

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(1,3-dioxoisoindol-2-yl)-3-(4-methoxy-2-pyridinyl)propanoate?
The IUPAC name of ethyl 3-(1,3-dioxoisoindol-2-yl)-3-(4-methoxy-2-pyridinyl)propanoate (CID 142676179) is ethyl 3-(1,3-dioxoisoindol-2-yl)-3-(4-methoxy-2-pyridinyl)propanoate.
What is the SMILES notation for ethyl 3-(1,3-dioxoisoindol-2-yl)-3-(4-methoxy-2-pyridinyl)propanoate?
The canonical SMILES for ethyl 3-(1,3-dioxoisoindol-2-yl)-3-(4-methoxy-2-pyridinyl)propanoate is CCOC(=O)CC(c1cc(OC)ccn1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of ethyl 3-(1,3-dioxoisoindol-2-yl)-3-(4-methoxy-2-pyridinyl)propanoate?
The InChIKey is BJWXIDNZFHGDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5/c1-3-26-17(22)11-16(15-10-12(25-2)8-9-20-15)21-18(23)13-6-4-5-7-14(13)19(21)24/h4-10,16H,3,11H2,1-2H3.
What are the key properties of ethyl 3-(1,3-dioxoisoindol-2-yl)-3-(4-methoxy-2-pyridinyl)propanoate?
ethyl 3-(1,3-dioxoisoindol-2-yl)-3-(4-methoxy-2-pyridinyl)propanoate has a molecular weight of 354.36 g/mol, XLogP of 2.38, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(1,3-dioxoisoindol-2-yl)-3-(4-methoxy-2-pyridinyl)propanoate is sourced from PubChem (CID 142676179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).