N-[(4-ethoxyphenyl)methylideneamino]-2-(2-methoxyanilino)acetamide

C18H21N3O3 — CID 759194

IUPACN-[(4-ethoxyphenyl)methylideneamino]-2-(2-methoxyanilino)acetamide
SMILESCCOc1ccc(C=NNC(=O)CNc2ccccc2OC)cc1
InChIInChI=1S/C18H21N3O3/c1-3-24-15-10-8-14(9-11-15)12-20-21-18(22)13-19-16-6-4-5-7-17(16)23-2/h4-12,19H,3,13H2,1-2H3,(H,21,22)
InChIKeyACCJFHMQIIZJJY-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.66
Rot. Bonds8

About N-[(4-ethoxyphenyl)methylideneamino]-2-(2-methoxyanilino)acetamide

N-[(4-ethoxyphenyl)methylideneamino]-2-(2-methoxyanilino)acetamide (PubChem CID 759194) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methylideneamino]-2-(2-methoxyanilino)acetamide.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methylideneamino]-2-(2-methoxyanilino)acetamide
PubChem CID759194
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC NameN-[(4-ethoxyphenyl)methylideneamino]-2-(2-methoxyanilino)acetamide
SMILESCCOc1ccc(C=NNC(=O)CNc2ccccc2OC)cc1
InChIInChI=1S/C18H21N3O3/c1-3-24-15-10-8-14(9-11-15)12-20-21-18(22)13-19-16-6-4-5-7-17(16)23-2/h4-12,19H,3,13H2,1-2H3,(H,21,22)
InChIKeyACCJFHMQIIZJJY-UHFFFAOYSA-N
XLogP2.66
TPSA71.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-(2-methoxyanilino)acetamide
CID 5401700
2-(2-methoxyanilino)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide
CID 6910807
N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-(2-methoxyanilino)acetamide
CID 6910799
N-(4-ethoxyphenyl)-2-(2-methoxyanilino)acetamide
CID 9080558
1-[(4-ethoxyphenyl)methylideneamino]-3-(2-methoxyphenyl)thiourea
CID 3927035
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-(4-fluoroanilino)acetamide
CID 5416855
N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]-2-(2-methoxyanilino)acetamide
CID 8974942
N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]-2-(2-methoxyanilino)acetamide
CID 171985531
N-[(3-ethoxy-4-methoxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide
CID 3874837
[4-[[[2-(2-methoxyanilino)acetyl]hydrazinylidene]methyl]phenyl] 3-fluorobenzoate
CID 1118922
2-(2,4-dibromoanilino)-N-[(E)-(4-ethoxyphenyl)methylideneamino]acetamide
CID 46502238
2-(2-methoxyanilino)-N-[(E)-(2,4,6-trimethoxyphenyl)methylideneamino]acetamide
CID 6910859

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methylideneamino]-2-(2-methoxyanilino)acetamide?
The IUPAC name of N-[(4-ethoxyphenyl)methylideneamino]-2-(2-methoxyanilino)acetamide (CID 759194) is N-[(4-ethoxyphenyl)methylideneamino]-2-(2-methoxyanilino)acetamide.
What is the SMILES notation for N-[(4-ethoxyphenyl)methylideneamino]-2-(2-methoxyanilino)acetamide?
The canonical SMILES for N-[(4-ethoxyphenyl)methylideneamino]-2-(2-methoxyanilino)acetamide is CCOc1ccc(C=NNC(=O)CNc2ccccc2OC)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methylideneamino]-2-(2-methoxyanilino)acetamide?
The InChIKey is ACCJFHMQIIZJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-3-24-15-10-8-14(9-11-15)12-20-21-18(22)13-19-16-6-4-5-7-17(16)23-2/h4-12,19H,3,13H2,1-2H3,(H,21,22).
What are the key properties of N-[(4-ethoxyphenyl)methylideneamino]-2-(2-methoxyanilino)acetamide?
N-[(4-ethoxyphenyl)methylideneamino]-2-(2-methoxyanilino)acetamide has a molecular weight of 327.38 g/mol, XLogP of 2.66, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methylideneamino]-2-(2-methoxyanilino)acetamide is sourced from PubChem (CID 759194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).