2-(4-ethoxyanilino)-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide

C21H21N3O2 — CID 5421688

IUPAC2-(4-ethoxyanilino)-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide
SMILESCCOc1ccc(NCC(=O)N/N=C\c2cccc3ccccc23)cc1
InChIInChI=1S/C21H21N3O2/c1-2-26-19-12-10-18(11-13-19)22-15-21(25)24-23-14-17-8-5-7-16-6-3-4-9-20(16)17/h3-14,22H,2,15H2,1H3,(H,24,25)/b23-14-
InChIKeyJAVANOWYZRSRGC-UCQKPKSFSA-N
MW347.42 g/mol
LogP3.80
Rot. Bonds7

About 2-(4-ethoxyanilino)-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide

2-(4-ethoxyanilino)-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide (PubChem CID 5421688) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-(4-ethoxyanilino)-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-ethoxyanilino)-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide
PubChem CID5421688
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name2-(4-ethoxyanilino)-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide
SMILESCCOc1ccc(NCC(=O)N/N=C\c2cccc3ccccc23)cc1
InChIInChI=1S/C21H21N3O2/c1-2-26-19-12-10-18(11-13-19)22-15-21(25)24-23-14-17-8-5-7-16-6-3-4-9-20(16)17/h3-14,22H,2,15H2,1H3,(H,24,25)/b23-14-
InChIKeyJAVANOWYZRSRGC-UCQKPKSFSA-N
XLogP3.80
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', '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-(4-methylanilino)-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide
CID 5393375
N-(4-ethoxyphenyl)-N'-[(E)-naphthalen-1-ylmethylideneamino]oxamide
CID 5333273
2-(4-ethoxyanilino)-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 136721150
2-(4-ethoxyanilino)-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 6118655
1-(4-ethoxyphenyl)-3-[(E)-naphthalen-1-ylmethylideneamino]thiourea
CID 6903251
2-(4-methoxyanilino)-N-[(4-methoxynaphthalen-1-yl)methylideneamino]acetamide
CID 4628921
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-(4-fluoroanilino)acetamide
CID 5416855
N-(naphthalen-1-ylmethylideneamino)-2-(4-propan-2-ylphenoxy)acetamide
CID 927198
N-[(E)-naphthalen-1-ylmethylideneamino]-N'-[(Z)-naphthalen-1-ylmethylideneamino]butanediamide
CID 92959506
ethyl N-[(Z)-naphthalen-1-ylmethylideneamino]carbamate
CID 5399199
2-(4-ethoxyanilino)-N-[(E)-1-phenylethylideneamino]acetamide
CID 5421634
N-[(4-ethoxy-2-hydroxyphenyl)methylideneamino]-2-(3-methylanilino)acetamide
CID 3788023

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyanilino)-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide?
The IUPAC name of 2-(4-ethoxyanilino)-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide (CID 5421688) is 2-(4-ethoxyanilino)-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide.
What is the SMILES notation for 2-(4-ethoxyanilino)-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide?
The canonical SMILES for 2-(4-ethoxyanilino)-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide is CCOc1ccc(NCC(=O)N/N=C\c2cccc3ccccc23)cc1.
What is the InChIKey of 2-(4-ethoxyanilino)-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide?
The InChIKey is JAVANOWYZRSRGC-UCQKPKSFSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-2-26-19-12-10-18(11-13-19)22-15-21(25)24-23-14-17-8-5-7-16-6-3-4-9-20(16)17/h3-14,22H,2,15H2,1H3,(H,24,25)/b23-14-.
What are the key properties of 2-(4-ethoxyanilino)-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide?
2-(4-ethoxyanilino)-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide has a molecular weight of 347.42 g/mol, XLogP of 3.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyanilino)-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide is sourced from PubChem (CID 5421688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).