2-(4-ethoxyanilino)-N-(1-naphthalen-2-ylethylideneamino)propanamide

C23H25N3O2 — CID 71960214

IUPAC2-(4-ethoxyanilino)-N-(1-naphthalen-2-ylethylideneamino)propanamide
SMILESCCOc1ccc(NC(C)C(=O)NN=C(C)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C23H25N3O2/c1-4-28-22-13-11-21(12-14-22)24-17(3)23(27)26-25-16(2)19-10-9-18-7-5-6-8-20(18)15-19/h5-15,17,24H,4H2,1-3H3,(H,26,27)
InChIKeyMWQJQAOLQMDEKV-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.58
Rot. Bonds7

About 2-(4-ethoxyanilino)-N-(1-naphthalen-2-ylethylideneamino)propanamide

2-(4-ethoxyanilino)-N-(1-naphthalen-2-ylethylideneamino)propanamide (PubChem CID 71960214) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 2-(4-ethoxyanilino)-N-(1-naphthalen-2-ylethylideneamino)propanamide.

Molecular Properties

Compound Name2-(4-ethoxyanilino)-N-(1-naphthalen-2-ylethylideneamino)propanamide
PubChem CID71960214
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name2-(4-ethoxyanilino)-N-(1-naphthalen-2-ylethylideneamino)propanamide
SMILESCCOc1ccc(NC(C)C(=O)NN=C(C)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C23H25N3O2/c1-4-28-22-13-11-21(12-14-22)24-17(3)23(27)26-25-16(2)19-10-9-18-7-5-6-8-20(18)15-19/h5-15,17,24H,4H2,1-3H3,(H,26,27)
InChIKeyMWQJQAOLQMDEKV-UHFFFAOYSA-N
XLogP4.58
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.58
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-methoxyanilino)-N-(1-naphthalen-2-ylethylideneamino)propanamide
CID 71960241
(2R)-2-(4-iodo-3-methylanilino)-N-[(E)-1-naphthalen-2-ylethylideneamino]propanamide
CID 28872870
(2S)-2-(naphthalen-2-ylamino)-N-[(Z)-1-phenylethylideneamino]propanamide
CID 6858361
(2R)-N-[(Z)-1-(4-methylphenyl)ethylideneamino]-2-(naphthalen-2-ylamino)propanamide
CID 5390539
(2R)-2-(4-methoxyanilino)-N-[(E)-1-phenylethylideneamino]propanamide
CID 5403118
(2S)-2-(2,4-dimethylanilino)-N-(1-naphthalen-2-ylethylideneamino)propanamide
CID 999697
2-(4-ethoxyanilino)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide
CID 135957588
2-(4-chloroanilino)-N-[1-(4-methoxyphenyl)ethylideneamino]propanamide
CID 71960114
2-(4-ethoxyanilino)-N-methylpropanamide
CID 43085866
N-(4-ethoxyphenyl)naphthalene-2-carboxamide
CID 2600548
N-(1-naphthalen-2-ylethylideneamino)-2-phenoxyacetamide
CID 913446
2-(4-iodophenoxy)-N-[(Z)-1-naphthalen-2-ylethylideneamino]acetamide
CID 41290636

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyanilino)-N-(1-naphthalen-2-ylethylideneamino)propanamide?
The IUPAC name of 2-(4-ethoxyanilino)-N-(1-naphthalen-2-ylethylideneamino)propanamide (CID 71960214) is 2-(4-ethoxyanilino)-N-(1-naphthalen-2-ylethylideneamino)propanamide.
What is the SMILES notation for 2-(4-ethoxyanilino)-N-(1-naphthalen-2-ylethylideneamino)propanamide?
The canonical SMILES for 2-(4-ethoxyanilino)-N-(1-naphthalen-2-ylethylideneamino)propanamide is CCOc1ccc(NC(C)C(=O)NN=C(C)c2ccc3ccccc3c2)cc1.
What is the InChIKey of 2-(4-ethoxyanilino)-N-(1-naphthalen-2-ylethylideneamino)propanamide?
The InChIKey is MWQJQAOLQMDEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-4-28-22-13-11-21(12-14-22)24-17(3)23(27)26-25-16(2)19-10-9-18-7-5-6-8-20(18)15-19/h5-15,17,24H,4H2,1-3H3,(H,26,27).
What are the key properties of 2-(4-ethoxyanilino)-N-(1-naphthalen-2-ylethylideneamino)propanamide?
2-(4-ethoxyanilino)-N-(1-naphthalen-2-ylethylideneamino)propanamide has a molecular weight of 375.47 g/mol, XLogP of 4.58, 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-(1-naphthalen-2-ylethylideneamino)propanamide is sourced from PubChem (CID 71960214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).