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

C18H21N3O3 — CID 3788023

IUPACN-[(4-ethoxy-2-hydroxyphenyl)methylideneamino]-2-(3-methylanilino)acetamide
SMILESCCOc1ccc(C=NNC(=O)CNc2cccc(C)c2)c(O)c1
InChIInChI=1S/C18H21N3O3/c1-3-24-16-8-7-14(17(22)10-16)11-20-21-18(23)12-19-15-6-4-5-13(2)9-15/h4-11,19,22H,3,12H2,1-2H3,(H,21,23)
InChIKeyYYNRWKKFBMPLLZ-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.66
Rot. Bonds7

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

N-[(4-ethoxy-2-hydroxyphenyl)methylideneamino]-2-(3-methylanilino)acetamide (PubChem CID 3788023) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-[(4-ethoxy-2-hydroxyphenyl)methylideneamino]-2-(3-methylanilino)acetamide.

Molecular Properties

Compound NameN-[(4-ethoxy-2-hydroxyphenyl)methylideneamino]-2-(3-methylanilino)acetamide
PubChem CID3788023
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC NameN-[(4-ethoxy-2-hydroxyphenyl)methylideneamino]-2-(3-methylanilino)acetamide
SMILESCCOc1ccc(C=NNC(=O)CNc2cccc(C)c2)c(O)c1
InChIInChI=1S/C18H21N3O3/c1-3-24-16-8-7-14(17(22)10-16)11-20-21-18(23)12-19-15-6-4-5-13(2)9-15/h4-11,19,22H,3,12H2,1-2H3,(H,21,23)
InChIKeyYYNRWKKFBMPLLZ-UHFFFAOYSA-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_A(479)', '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

5-ethoxy-2-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]phenol
CID 135676045
N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-(3-methylanilino)acetamide
CID 135644204
N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(3-methylanilino)acetamide
CID 135752411
2-(4-fluoroanilino)-N-[(Z)-(2-hydroxy-4-propoxyphenyl)methylideneamino]acetamide
CID 135884871
2-(3,4-dimethylphenoxy)-N-[(E)-(4-ethoxy-2-hydroxyphenyl)methylideneamino]acetamide
CID 135590117
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-(3-methylanilino)acetamide
CID 135420053
N-[(2,4-dihydroxyphenyl)methylideneamino]-2-(4-methoxyanilino)acetamide
CID 767055
N-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]-2-(3-methylanilino)acetamide
CID 4030750
N-[(E)-(4-ethoxy-2-hydroxyphenyl)methylideneamino]-2-(4-phenylphenoxy)acetamide
CID 135590241
N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]-2-(3-methylanilino)acetamide
CID 5439769
N-[(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]-2-(3-methylanilino)acetamide
CID 2833192
2-(4-ethoxyanilino)-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide
CID 5421688

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxy-2-hydroxyphenyl)methylideneamino]-2-(3-methylanilino)acetamide?
The IUPAC name of N-[(4-ethoxy-2-hydroxyphenyl)methylideneamino]-2-(3-methylanilino)acetamide (CID 3788023) is N-[(4-ethoxy-2-hydroxyphenyl)methylideneamino]-2-(3-methylanilino)acetamide.
What is the SMILES notation for N-[(4-ethoxy-2-hydroxyphenyl)methylideneamino]-2-(3-methylanilino)acetamide?
The canonical SMILES for N-[(4-ethoxy-2-hydroxyphenyl)methylideneamino]-2-(3-methylanilino)acetamide is CCOc1ccc(C=NNC(=O)CNc2cccc(C)c2)c(O)c1.
What is the InChIKey of N-[(4-ethoxy-2-hydroxyphenyl)methylideneamino]-2-(3-methylanilino)acetamide?
The InChIKey is YYNRWKKFBMPLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-3-24-16-8-7-14(17(22)10-16)11-20-21-18(23)12-19-15-6-4-5-13(2)9-15/h4-11,19,22H,3,12H2,1-2H3,(H,21,23).
What are the key properties of N-[(4-ethoxy-2-hydroxyphenyl)methylideneamino]-2-(3-methylanilino)acetamide?
N-[(4-ethoxy-2-hydroxyphenyl)methylideneamino]-2-(3-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-[(4-ethoxy-2-hydroxyphenyl)methylideneamino]-2-(3-methylanilino)acetamide is sourced from PubChem (CID 3788023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).