N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide

C18H21N3O3 — CID 136664168

IUPACN-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide
SMILESCCOc1cc(/C=N\NC(=O)CNc2ccc(C)cc2)ccc1O
InChIInChI=1S/C18H21N3O3/c1-3-24-17-10-14(6-9-16(17)22)11-20-21-18(23)12-19-15-7-4-13(2)5-8-15/h4-11,19,22H,3,12H2,1-2H3,(H,21,23)/b20-11-
InChIKeyKGENEBUKWYBAMF-JAIQZWGSSA-N
MW327.38 g/mol
LogP2.66
Rot. Bonds7

About N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide

N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide (PubChem CID 136664168) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide.

Molecular Properties

Compound NameN-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide
PubChem CID136664168
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC NameN-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide
SMILESCCOc1cc(/C=N\NC(=O)CNc2ccc(C)cc2)ccc1O
InChIInChI=1S/C18H21N3O3/c1-3-24-17-10-14(6-9-16(17)22)11-20-21-18(23)12-19-15-7-4-13(2)5-8-15/h4-11,19,22H,3,12H2,1-2H3,(H,21,23)/b20-11-
InChIKeyKGENEBUKWYBAMF-JAIQZWGSSA-N
XLogP2.66
TPSA82.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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

N-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide
CID 135419694
N,N'-bis[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]butanediamide
CID 135884833
2-(1,3-benzodioxol-5-ylamino)-N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide
CID 135592419
N,N'-bis[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]decanediamide
CID 135458926
2-anilino-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135679320
2-anilino-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 136867320
N-[2-[(2E)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-methylbenzamide
CID 135613300
[2-ethoxy-4-[(Z)-[[2-(4-methylanilino)acetyl]hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate
CID 41285226
2-(4-fluoroanilino)-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 770408
2-(cyclohexylamino)-N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide
CID 137094323
N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]tetradecanamide
CID 136676038
[2-[(2Z)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium chloride
CID 135422189

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide?
The IUPAC name of N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide (CID 136664168) is N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide.
What is the SMILES notation for N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide?
The canonical SMILES for N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide is CCOc1cc(/C=N\NC(=O)CNc2ccc(C)cc2)ccc1O.
What is the InChIKey of N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide?
The InChIKey is KGENEBUKWYBAMF-JAIQZWGSSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-3-24-17-10-14(6-9-16(17)22)11-20-21-18(23)12-19-15-7-4-13(2)5-8-15/h4-11,19,22H,3,12H2,1-2H3,(H,21,23)/b20-11-.
What are the key properties of N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide?
N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide has a molecular weight of 327.38 g/mol, XLogP of 2.66, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide is sourced from PubChem (CID 136664168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).