(2R)-2-[(3R)-5,7-dichloro-3-(2-hydroxyethyl)-1-(methoxymethyl)-2-oxoindol-3-yl]-2-(2-methoxyphenyl)pent-4-enamide

C24H26Cl2N2O5 — CID 11991507

IUPAC(2R)-2-[(3R)-5,7-dichloro-3-(2-hydroxyethyl)-1-(methoxymethyl)-2-oxoindol-3-yl]-2-(2-methoxyphenyl)pent-4-enamide
SMILESC=CC[C@@](C(N)=O)(c1ccccc1OC)[C@]1(CCO)C(=O)N(COC)c2c(Cl)cc(Cl)cc21
InChIInChI=1S/C24H26Cl2N2O5/c1-4-9-23(21(27)30,16-7-5-6-8-19(16)33-3)24(10-11-29)17-12-15(25)13-18(26)20(17)28(14-32-2)22(24)31/h4-8,12-13,29H,1,9-11,14H2,2-3H3,(H2,27,30)/t23-,24-/m0/s1
InChIKeyKJSDGCDFFROIQM-ZEQRLZLVSA-N
MW493.39 g/mol
LogP3.57
Rot. Bonds10

About (2R)-2-[(3R)-5,7-dichloro-3-(2-hydroxyethyl)-1-(methoxymethyl)-2-oxoindol-3-yl]-2-(2-methoxyphenyl)pent-4-enamide

(2R)-2-[(3R)-5,7-dichloro-3-(2-hydroxyethyl)-1-(methoxymethyl)-2-oxoindol-3-yl]-2-(2-methoxyphenyl)pent-4-enamide (PubChem CID 11991507) has the molecular formula C24H26Cl2N2O5 and a molecular weight of 493.39 g/mol. Its IUPAC name is (2R)-2-[(3R)-5,7-dichloro-3-(2-hydroxyethyl)-1-(methoxymethyl)-2-oxoindol-3-yl]-2-(2-methoxyphenyl)pent-4-enamide.

Molecular Properties

Compound Name(2R)-2-[(3R)-5,7-dichloro-3-(2-hydroxyethyl)-1-(methoxymethyl)-2-oxoindol-3-yl]-2-(2-methoxyphenyl)pent-4-enamide
PubChem CID11991507
Molecular FormulaC24H26Cl2N2O5
Molecular Weight493.39 g/mol
Exact Mass492.12
IUPAC Name(2R)-2-[(3R)-5,7-dichloro-3-(2-hydroxyethyl)-1-(methoxymethyl)-2-oxoindol-3-yl]-2-(2-methoxyphenyl)pent-4-enamide
SMILESC=CC[C@@](C(N)=O)(c1ccccc1OC)[C@]1(CCO)C(=O)N(COC)c2c(Cl)cc(Cl)cc21
InChIInChI=1S/C24H26Cl2N2O5/c1-4-9-23(21(27)30,16-7-5-6-8-19(16)33-3)24(10-11-29)17-12-15(25)13-18(26)20(17)28(14-32-2)22(24)31/h4-8,12-13,29H,1,9-11,14H2,2-3H3,(H2,27,30)/t23-,24-/m0/s1
InChIKeyKJSDGCDFFROIQM-ZEQRLZLVSA-N
XLogP3.57
TPSA102.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.39
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 101248041
2,2-bis(2-methoxyphenyl)propanediamide
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2-amino-3-hydroxy-2-(2-methoxyphenyl)propanoic acid
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3-(2-methoxyphenyl)-3-(methylamino)butanamide
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(2',5'-dioxospiro[fluorene-9,4'-imidazolidine]-1'-yl)methyl acetate;3'-(methoxymethyl)spiro[fluorene-9,5'-imidazolidine]-2',4'-dione
CID 161164052
(2R)-2-(2-methoxyphenyl)but-3-en-2-ol
CID 124509510
(2,4-dichlorophenyl)methyl 4-[(2-methoxyphenoxy)methyl]benzoate
CID 126186183
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CID 171061426
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CID 4786260
3-chloro-5-(2-methoxyphenyl)benzoic acid
CID 53225406
(5Z)-5-[[3,5-dichloro-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2202213
(2S)-2-amino-2-(2-methoxyphenyl)propan-1-ol
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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3R)-5,7-dichloro-3-(2-hydroxyethyl)-1-(methoxymethyl)-2-oxoindol-3-yl]-2-(2-methoxyphenyl)pent-4-enamide?
The IUPAC name of (2R)-2-[(3R)-5,7-dichloro-3-(2-hydroxyethyl)-1-(methoxymethyl)-2-oxoindol-3-yl]-2-(2-methoxyphenyl)pent-4-enamide (CID 11991507) is (2R)-2-[(3R)-5,7-dichloro-3-(2-hydroxyethyl)-1-(methoxymethyl)-2-oxoindol-3-yl]-2-(2-methoxyphenyl)pent-4-enamide.
What is the SMILES notation for (2R)-2-[(3R)-5,7-dichloro-3-(2-hydroxyethyl)-1-(methoxymethyl)-2-oxoindol-3-yl]-2-(2-methoxyphenyl)pent-4-enamide?
The canonical SMILES for (2R)-2-[(3R)-5,7-dichloro-3-(2-hydroxyethyl)-1-(methoxymethyl)-2-oxoindol-3-yl]-2-(2-methoxyphenyl)pent-4-enamide is C=CC[C@@](C(N)=O)(c1ccccc1OC)[C@]1(CCO)C(=O)N(COC)c2c(Cl)cc(Cl)cc21.
What is the InChIKey of (2R)-2-[(3R)-5,7-dichloro-3-(2-hydroxyethyl)-1-(methoxymethyl)-2-oxoindol-3-yl]-2-(2-methoxyphenyl)pent-4-enamide?
The InChIKey is KJSDGCDFFROIQM-ZEQRLZLVSA-N. The full InChI is InChI=1S/C24H26Cl2N2O5/c1-4-9-23(21(27)30,16-7-5-6-8-19(16)33-3)24(10-11-29)17-12-15(25)13-18(26)20(17)28(14-32-2)22(24)31/h4-8,12-13,29H,1,9-11,14H2,2-3H3,(H2,27,30)/t23-,24-/m0/s1.
What are the key properties of (2R)-2-[(3R)-5,7-dichloro-3-(2-hydroxyethyl)-1-(methoxymethyl)-2-oxoindol-3-yl]-2-(2-methoxyphenyl)pent-4-enamide?
(2R)-2-[(3R)-5,7-dichloro-3-(2-hydroxyethyl)-1-(methoxymethyl)-2-oxoindol-3-yl]-2-(2-methoxyphenyl)pent-4-enamide has a molecular weight of 493.39 g/mol, XLogP of 3.57, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3R)-5,7-dichloro-3-(2-hydroxyethyl)-1-(methoxymethyl)-2-oxoindol-3-yl]-2-(2-methoxyphenyl)pent-4-enamide is sourced from PubChem (CID 11991507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).