N-ethyl-2-[2-methoxy-4-[(Z)-[(Z)-(1-methyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]phenoxy]acetamide

C21H22N4O4 — CID 9213838

IUPACN-ethyl-2-[2-methoxy-4-[(Z)-[(Z)-(1-methyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]phenoxy]acetamide
SMILESCCNC(=O)COc1ccc(/C=N\N=C2/C(=O)N(C)c3ccccc32)cc1OC
InChIInChI=1S/C21H22N4O4/c1-4-22-19(26)13-29-17-10-9-14(11-18(17)28-3)12-23-24-20-15-7-5-6-8-16(15)25(2)21(20)27/h5-12H,4,13H2,1-3H3,(H,22,26)/b23-12-,24-20-
InChIKeyHECKJJGGXMNUHN-XSQHXMFVSA-N
MW394.43 g/mol
LogP2.01
Rot. Bonds7

About N-ethyl-2-[2-methoxy-4-[(Z)-[(Z)-(1-methyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]phenoxy]acetamide

N-ethyl-2-[2-methoxy-4-[(Z)-[(Z)-(1-methyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]phenoxy]acetamide (PubChem CID 9213838) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is N-ethyl-2-[2-methoxy-4-[(Z)-[(Z)-(1-methyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[2-methoxy-4-[(Z)-[(Z)-(1-methyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]phenoxy]acetamide
PubChem CID9213838
Molecular FormulaC21H22N4O4
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC NameN-ethyl-2-[2-methoxy-4-[(Z)-[(Z)-(1-methyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]phenoxy]acetamide
SMILESCCNC(=O)COc1ccc(/C=N\N=C2/C(=O)N(C)c3ccccc32)cc1OC
InChIInChI=1S/C21H22N4O4/c1-4-22-19(26)13-29-17-10-9-14(11-18(17)28-3)12-23-24-20-15-7-5-6-8-16(15)25(2)21(20)27/h5-12H,4,13H2,1-3H3,(H,22,26)/b23-12-,24-20-
InChIKeyHECKJJGGXMNUHN-XSQHXMFVSA-N
XLogP2.01
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 52.01
H-Bond Donors ≤ 51
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

2-[2-methoxy-4-[(Z)-[(Z)-(1-methyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]phenoxy]acetamide
CID 9213842
(3Z)-3-[(Z)-(3-hydroxy-4-methoxyphenyl)methylidenehydrazinylidene]-1-methylindol-2-one
CID 9214073
(3Z)-3-[(Z)-[4-(difluoromethoxy)-3-ethoxyphenyl]methylidenehydrazinylidene]-1-methylindol-2-one
CID 9213858
(2R)-2-[2-ethoxy-4-[(Z)-[(Z)-(1-methyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]phenoxy]-N,N-dimethylpropanamide
CID 9213816
methyl N-[(E)-[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]carbamate
CID 6910037
[4-[(Z)-[(Z)-(1-ethyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]-2-methoxyphenyl] cyclopropanecarboxylate
CID 9122525
(3Z)-3-[(Z)-(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)methylidenehydrazinylidene]-1-methylindol-2-one
CID 9213834
N-[(E)-[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]pyridine-4-carboxamide
CID 6909357
N-benzyl-2-[4-(hydroxyiminomethyl)-2-methoxyphenoxy]acetamide
CID 57365590
(Z)-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]fluoren-9-imine
CID 5408315
(3Z)-1-benzyl-3-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]indol-2-one
CID 135733167
4-(diethylamino)-N-[(Z)-[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]benzamide
CID 7928987

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[2-methoxy-4-[(Z)-[(Z)-(1-methyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]phenoxy]acetamide?
The IUPAC name of N-ethyl-2-[2-methoxy-4-[(Z)-[(Z)-(1-methyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]phenoxy]acetamide (CID 9213838) is N-ethyl-2-[2-methoxy-4-[(Z)-[(Z)-(1-methyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]phenoxy]acetamide.
What is the SMILES notation for N-ethyl-2-[2-methoxy-4-[(Z)-[(Z)-(1-methyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]phenoxy]acetamide?
The canonical SMILES for N-ethyl-2-[2-methoxy-4-[(Z)-[(Z)-(1-methyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]phenoxy]acetamide is CCNC(=O)COc1ccc(/C=N\N=C2/C(=O)N(C)c3ccccc32)cc1OC.
What is the InChIKey of N-ethyl-2-[2-methoxy-4-[(Z)-[(Z)-(1-methyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]phenoxy]acetamide?
The InChIKey is HECKJJGGXMNUHN-XSQHXMFVSA-N. The full InChI is InChI=1S/C21H22N4O4/c1-4-22-19(26)13-29-17-10-9-14(11-18(17)28-3)12-23-24-20-15-7-5-6-8-16(15)25(2)21(20)27/h5-12H,4,13H2,1-3H3,(H,22,26)/b23-12-,24-20-.
What are the key properties of N-ethyl-2-[2-methoxy-4-[(Z)-[(Z)-(1-methyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]phenoxy]acetamide?
N-ethyl-2-[2-methoxy-4-[(Z)-[(Z)-(1-methyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]phenoxy]acetamide has a molecular weight of 394.43 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-methoxy-4-[(Z)-[(Z)-(1-methyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]phenoxy]acetamide is sourced from PubChem (CID 9213838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).