(2S)-2-(2,4-dimethylanilino)-N-(1-naphthalen-2-ylethylideneamino)propanamide

C23H25N3O — CID 999697

IUPAC(2S)-2-(2,4-dimethylanilino)-N-(1-naphthalen-2-ylethylideneamino)propanamide
SMILESCC(=NNC(=O)[C@H](C)Nc1ccc(C)cc1C)c1ccc2ccccc2c1
InChIInChI=1S/C23H25N3O/c1-15-9-12-22(16(2)13-15)24-18(4)23(27)26-25-17(3)20-11-10-19-7-5-6-8-21(19)14-20/h5-14,18,24H,1-4H3,(H,26,27)/t18-/m0/s1
InChIKeyBMMYNRHXEQMYQK-SFHVURJKSA-N
MW359.47 g/mol
LogP4.80
Rot. Bonds5

About (2S)-2-(2,4-dimethylanilino)-N-(1-naphthalen-2-ylethylideneamino)propanamide

(2S)-2-(2,4-dimethylanilino)-N-(1-naphthalen-2-ylethylideneamino)propanamide (PubChem CID 999697) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is (2S)-2-(2,4-dimethylanilino)-N-(1-naphthalen-2-ylethylideneamino)propanamide.

Molecular Properties

Compound Name(2S)-2-(2,4-dimethylanilino)-N-(1-naphthalen-2-ylethylideneamino)propanamide
PubChem CID999697
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name(2S)-2-(2,4-dimethylanilino)-N-(1-naphthalen-2-ylethylideneamino)propanamide
SMILESCC(=NNC(=O)[C@H](C)Nc1ccc(C)cc1C)c1ccc2ccccc2c1
InChIInChI=1S/C23H25N3O/c1-15-9-12-22(16(2)13-15)24-18(4)23(27)26-25-17(3)20-11-10-19-7-5-6-8-21(19)14-20/h5-14,18,24H,1-4H3,(H,26,27)/t18-/m0/s1
InChIKeyBMMYNRHXEQMYQK-SFHVURJKSA-N
XLogP4.80
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

(2R)-N-[(Z)-1-(4-methylphenyl)ethylideneamino]-2-(naphthalen-2-ylamino)propanamide
CID 5390539
(2R)-2-(4-iodo-3-methylanilino)-N-[(E)-1-naphthalen-2-ylethylideneamino]propanamide
CID 28872870
2-(4-methoxyanilino)-N-(1-naphthalen-2-ylethylideneamino)propanamide
CID 71960241
2-(2,4-dimethylanilino)-N-naphthalen-2-ylpropanamide
CID 3283629
(2S)-2-(naphthalen-2-ylamino)-N-[(Z)-1-phenylethylideneamino]propanamide
CID 6858361
2-(4-ethoxyanilino)-N-(1-naphthalen-2-ylethylideneamino)propanamide
CID 71960214
2-(2,4-dimethylanilino)propanehydrazide
CID 23861884
(2R)-N-(2-acetylphenyl)-2-(2,4-dimethylanilino)propanamide
CID 35906873
2-(3-chloroanilino)-N-[1-(4-methylphenyl)ethylideneamino]propanamide
CID 4654925
2-(2,4-dimethylanilino)propanoic acid
CID 13138173
3-methyl-N-(1-naphthalen-2-ylethylideneamino)-4-nitrobenzamide
CID 5109647
N,N'-bis(1-naphthalen-2-ylethylideneamino)octanediamide
CID 4172674

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,4-dimethylanilino)-N-(1-naphthalen-2-ylethylideneamino)propanamide?
The IUPAC name of (2S)-2-(2,4-dimethylanilino)-N-(1-naphthalen-2-ylethylideneamino)propanamide (CID 999697) is (2S)-2-(2,4-dimethylanilino)-N-(1-naphthalen-2-ylethylideneamino)propanamide.
What is the SMILES notation for (2S)-2-(2,4-dimethylanilino)-N-(1-naphthalen-2-ylethylideneamino)propanamide?
The canonical SMILES for (2S)-2-(2,4-dimethylanilino)-N-(1-naphthalen-2-ylethylideneamino)propanamide is CC(=NNC(=O)[C@H](C)Nc1ccc(C)cc1C)c1ccc2ccccc2c1.
What is the InChIKey of (2S)-2-(2,4-dimethylanilino)-N-(1-naphthalen-2-ylethylideneamino)propanamide?
The InChIKey is BMMYNRHXEQMYQK-SFHVURJKSA-N. The full InChI is InChI=1S/C23H25N3O/c1-15-9-12-22(16(2)13-15)24-18(4)23(27)26-25-17(3)20-11-10-19-7-5-6-8-21(19)14-20/h5-14,18,24H,1-4H3,(H,26,27)/t18-/m0/s1.
What are the key properties of (2S)-2-(2,4-dimethylanilino)-N-(1-naphthalen-2-ylethylideneamino)propanamide?
(2S)-2-(2,4-dimethylanilino)-N-(1-naphthalen-2-ylethylideneamino)propanamide has a molecular weight of 359.47 g/mol, XLogP of 4.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,4-dimethylanilino)-N-(1-naphthalen-2-ylethylideneamino)propanamide is sourced from PubChem (CID 999697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).