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

C22H23N3O2 — CID 71960241

IUPAC2-(4-methoxyanilino)-N-(1-naphthalen-2-ylethylideneamino)propanamide
SMILESCOc1ccc(NC(C)C(=O)NN=C(C)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C22H23N3O2/c1-15(18-9-8-17-6-4-5-7-19(17)14-18)24-25-22(26)16(2)23-20-10-12-21(27-3)13-11-20/h4-14,16,23H,1-3H3,(H,25,26)
InChIKeyQTMXJTUGLZDTJO-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.19
Rot. Bonds6

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

2-(4-methoxyanilino)-N-(1-naphthalen-2-ylethylideneamino)propanamide (PubChem CID 71960241) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-(4-methoxyanilino)-N-(1-naphthalen-2-ylethylideneamino)propanamide.

Molecular Properties

Compound Name2-(4-methoxyanilino)-N-(1-naphthalen-2-ylethylideneamino)propanamide
PubChem CID71960241
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name2-(4-methoxyanilino)-N-(1-naphthalen-2-ylethylideneamino)propanamide
SMILESCOc1ccc(NC(C)C(=O)NN=C(C)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C22H23N3O2/c1-15(18-9-8-17-6-4-5-7-19(17)14-18)24-25-22(26)16(2)23-20-10-12-21(27-3)13-11-20/h4-14,16,23H,1-3H3,(H,25,26)
InChIKeyQTMXJTUGLZDTJO-UHFFFAOYSA-N
XLogP4.19
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.19
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-ethoxyanilino)-N-(1-naphthalen-2-ylethylideneamino)propanamide
CID 71960214
(2R)-2-(4-methoxyanilino)-N-[(E)-1-phenylethylideneamino]propanamide
CID 5403118
2-(4-chloroanilino)-N-[1-(4-methoxyphenyl)ethylideneamino]propanamide
CID 71960114
(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
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]naphthalene-2-carboxamide
CID 124908769
(2S)-2-(2,4-dimethylanilino)-N-(1-naphthalen-2-ylethylideneamino)propanamide
CID 999697
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-2-methylpropanamide
CID 27877650
(2S)-2-anilino-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]propanamide
CID 51414732
N-[1-(4-methoxyphenyl)ethylideneamino]-2-naphthalen-2-yloxyacetamide
CID 4109084
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-(4-methoxyanilino)propanamide
CID 135782070

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyanilino)-N-(1-naphthalen-2-ylethylideneamino)propanamide?
The IUPAC name of 2-(4-methoxyanilino)-N-(1-naphthalen-2-ylethylideneamino)propanamide (CID 71960241) is 2-(4-methoxyanilino)-N-(1-naphthalen-2-ylethylideneamino)propanamide.
What is the SMILES notation for 2-(4-methoxyanilino)-N-(1-naphthalen-2-ylethylideneamino)propanamide?
The canonical SMILES for 2-(4-methoxyanilino)-N-(1-naphthalen-2-ylethylideneamino)propanamide is COc1ccc(NC(C)C(=O)NN=C(C)c2ccc3ccccc3c2)cc1.
What is the InChIKey of 2-(4-methoxyanilino)-N-(1-naphthalen-2-ylethylideneamino)propanamide?
The InChIKey is QTMXJTUGLZDTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-15(18-9-8-17-6-4-5-7-19(17)14-18)24-25-22(26)16(2)23-20-10-12-21(27-3)13-11-20/h4-14,16,23H,1-3H3,(H,25,26).
What are the key properties of 2-(4-methoxyanilino)-N-(1-naphthalen-2-ylethylideneamino)propanamide?
2-(4-methoxyanilino)-N-(1-naphthalen-2-ylethylideneamino)propanamide has a molecular weight of 361.45 g/mol, XLogP of 4.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyanilino)-N-(1-naphthalen-2-ylethylideneamino)propanamide is sourced from PubChem (CID 71960241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).