(2R)-2-[2-ethoxy-4-[(Z)-[(Z)-(1-methyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]phenoxy]-N,N-dimethylpropanamide

C23H26N4O4 — CID 9213816

IUPAC(2R)-2-[2-ethoxy-4-[(Z)-[(Z)-(1-methyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]phenoxy]-N,N-dimethylpropanamide
SMILESCCOc1cc(/C=N\N=C2/C(=O)N(C)c3ccccc32)ccc1O[C@H](C)C(=O)N(C)C
InChIInChI=1S/C23H26N4O4/c1-6-30-20-13-16(11-12-19(20)31-15(2)22(28)26(3)4)14-24-25-21-17-9-7-8-10-18(17)27(5)23(21)29/h7-15H,6H2,1-5H3/b24-14-,25-21-/t15-/m1/s1
InChIKeyWBJKQBPIBNEFEV-KVQJQSMKSA-N
MW422.49 g/mol
LogP2.74
Rot. Bonds7

About (2R)-2-[2-ethoxy-4-[(Z)-[(Z)-(1-methyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]phenoxy]-N,N-dimethylpropanamide

(2R)-2-[2-ethoxy-4-[(Z)-[(Z)-(1-methyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]phenoxy]-N,N-dimethylpropanamide (PubChem CID 9213816) has the molecular formula C23H26N4O4 and a molecular weight of 422.49 g/mol. Its IUPAC name is (2R)-2-[2-ethoxy-4-[(Z)-[(Z)-(1-methyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]phenoxy]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name(2R)-2-[2-ethoxy-4-[(Z)-[(Z)-(1-methyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]phenoxy]-N,N-dimethylpropanamide
PubChem CID9213816
Molecular FormulaC23H26N4O4
Molecular Weight422.49 g/mol
Exact Mass422.20
IUPAC Name(2R)-2-[2-ethoxy-4-[(Z)-[(Z)-(1-methyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]phenoxy]-N,N-dimethylpropanamide
SMILESCCOc1cc(/C=N\N=C2/C(=O)N(C)c3ccccc32)ccc1O[C@H](C)C(=O)N(C)C
InChIInChI=1S/C23H26N4O4/c1-6-30-20-13-16(11-12-19(20)31-15(2)22(28)26(3)4)14-24-25-21-17-9-7-8-10-18(17)27(5)23(21)29/h7-15H,6H2,1-5H3/b24-14-,25-21-/t15-/m1/s1
InChIKeyWBJKQBPIBNEFEV-KVQJQSMKSA-N
XLogP2.74
TPSA83.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_isatin(189)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3Z)-3-[(Z)-[4-(difluoromethoxy)-3-ethoxyphenyl]methylidenehydrazinylidene]-1-methylindol-2-one
CID 9213858
(3Z)-3-[(Z)-(4-ethoxyphenyl)methylidenehydrazinylidene]-1-methylindol-2-one
CID 9214007
2-[2-methoxy-4-[(Z)-[(Z)-(1-methyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]phenoxy]acetamide
CID 9213842
N-ethyl-2-[2-methoxy-4-[(Z)-[(Z)-(1-methyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]phenoxy]acetamide
CID 9213838
(3Z)-3-[(Z)-(3-hydroxy-4-methoxyphenyl)methylidenehydrazinylidene]-1-methylindol-2-one
CID 9214073
2-[2-ethoxy-4-[(Z)-[1-(2-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl]phenoxy]-N,N-dimethylpropanamide
CID 55433950
2-[4-[(diaminomethylidenehydrazinylidene)methyl]-2-ethoxyphenoxy]propanoic acid
CID 168592580
N-[(Z)-[4-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]oxy-3-ethoxyphenyl]methylideneamino]-4-methoxybenzamide
CID 9359256
(3E)-3-[(E)-1,3-benzodioxol-5-ylmethylidenehydrazinylidene]-1-methylindol-2-one
CID 17368285
(2S)-2-[2-ethoxy-4-[(E)-3-(2-methylphenyl)-3-oxoprop-1-enyl]phenoxy]-N,N-dimethylpropanamide
CID 9448352
N-[(Z)-[4-[(2R)-1-(dimethylamino)-1-oxopropan-2-yl]oxy-3-ethoxyphenyl]methylideneamino]-2-methylfuran-3-carboxamide
CID 9359495
2-[4-(aminomethyl)-2-ethoxyphenoxy]-N,N-dimethylpropanamide
CID 43122479

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-ethoxy-4-[(Z)-[(Z)-(1-methyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]phenoxy]-N,N-dimethylpropanamide?
The IUPAC name of (2R)-2-[2-ethoxy-4-[(Z)-[(Z)-(1-methyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]phenoxy]-N,N-dimethylpropanamide (CID 9213816) is (2R)-2-[2-ethoxy-4-[(Z)-[(Z)-(1-methyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]phenoxy]-N,N-dimethylpropanamide.
What is the SMILES notation for (2R)-2-[2-ethoxy-4-[(Z)-[(Z)-(1-methyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]phenoxy]-N,N-dimethylpropanamide?
The canonical SMILES for (2R)-2-[2-ethoxy-4-[(Z)-[(Z)-(1-methyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]phenoxy]-N,N-dimethylpropanamide is CCOc1cc(/C=N\N=C2/C(=O)N(C)c3ccccc32)ccc1O[C@H](C)C(=O)N(C)C.
What is the InChIKey of (2R)-2-[2-ethoxy-4-[(Z)-[(Z)-(1-methyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]phenoxy]-N,N-dimethylpropanamide?
The InChIKey is WBJKQBPIBNEFEV-KVQJQSMKSA-N. The full InChI is InChI=1S/C23H26N4O4/c1-6-30-20-13-16(11-12-19(20)31-15(2)22(28)26(3)4)14-24-25-21-17-9-7-8-10-18(17)27(5)23(21)29/h7-15H,6H2,1-5H3/b24-14-,25-21-/t15-/m1/s1.
What are the key properties of (2R)-2-[2-ethoxy-4-[(Z)-[(Z)-(1-methyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]phenoxy]-N,N-dimethylpropanamide?
(2R)-2-[2-ethoxy-4-[(Z)-[(Z)-(1-methyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]phenoxy]-N,N-dimethylpropanamide has a molecular weight of 422.49 g/mol, XLogP of 2.74, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-ethoxy-4-[(Z)-[(Z)-(1-methyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]phenoxy]-N,N-dimethylpropanamide is sourced from PubChem (CID 9213816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).