N-(1-cyclopropylethylideneamino)-2-(2,4-dimethylanilino)acetamide

C15H21N3O — CID 695075

IUPACN-(1-cyclopropylethylideneamino)-2-(2,4-dimethylanilino)acetamide
SMILESCC(=NNC(=O)CNc1ccc(C)cc1C)C1CC1
InChIInChI=1S/C15H21N3O/c1-10-4-7-14(11(2)8-10)16-9-15(19)18-17-12(3)13-5-6-13/h4,7-8,13,16H,5-6,9H2,1-3H3,(H,18,19)
InChIKeyJOFWLFHCNJMLOF-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.62
Rot. Bonds5

About N-(1-cyclopropylethylideneamino)-2-(2,4-dimethylanilino)acetamide

N-(1-cyclopropylethylideneamino)-2-(2,4-dimethylanilino)acetamide (PubChem CID 695075) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-(1-cyclopropylethylideneamino)-2-(2,4-dimethylanilino)acetamide.

Molecular Properties

Compound NameN-(1-cyclopropylethylideneamino)-2-(2,4-dimethylanilino)acetamide
PubChem CID695075
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-(1-cyclopropylethylideneamino)-2-(2,4-dimethylanilino)acetamide
SMILESCC(=NNC(=O)CNc1ccc(C)cc1C)C1CC1
InChIInChI=1S/C15H21N3O/c1-10-4-7-14(11(2)8-10)16-9-15(19)18-17-12(3)13-5-6-13/h4,7-8,13,16H,5-6,9H2,1-3H3,(H,18,19)
InChIKeyJOFWLFHCNJMLOF-UHFFFAOYSA-N
XLogP2.62
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.62
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

ethyl 3-[[2-(2,4-dimethylanilino)acetyl]hydrazinylidene]butanoate
CID 3978310
N-(cyclooctylideneamino)-2-(2,4-dimethylanilino)acetamide
CID 54786974
2-(2,4-dimethylanilino)-N-[(Z)-(2,4-dimethylphenyl)methylideneamino]acetamide
CID 5419156
2-(2,4-dimethylanilino)-N-[1-(3-nitrophenyl)ethylideneamino]acetamide
CID 968312
N-(benzylideneamino)-2-(2,4-dimethylanilino)acetamide
CID 967979
2-(2,4-dimethylanilino)-N-[(4-hydroxyphenyl)methylideneamino]acetamide
CID 967994
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(2,4-dimethylanilino)acetamide
CID 37473194
N-[(4-bromophenyl)methylideneamino]-2-(2,4-dimethylanilino)acetamide
CID 4630248
N-[(4-chlorophenyl)methylideneamino]-2-(2,4-dimethylanilino)acetamide
CID 968022
N-(2,4-dimethylphenyl)cyclopropanecarboxamide
CID 5066654
methyl 2-(2,4-dimethylanilino)acetate
CID 28564487
2-(2,4-dimethylanilino)-N-prop-2-enylacetamide
CID 39243861

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethylideneamino)-2-(2,4-dimethylanilino)acetamide?
The IUPAC name of N-(1-cyclopropylethylideneamino)-2-(2,4-dimethylanilino)acetamide (CID 695075) is N-(1-cyclopropylethylideneamino)-2-(2,4-dimethylanilino)acetamide.
What is the SMILES notation for N-(1-cyclopropylethylideneamino)-2-(2,4-dimethylanilino)acetamide?
The canonical SMILES for N-(1-cyclopropylethylideneamino)-2-(2,4-dimethylanilino)acetamide is CC(=NNC(=O)CNc1ccc(C)cc1C)C1CC1.
What is the InChIKey of N-(1-cyclopropylethylideneamino)-2-(2,4-dimethylanilino)acetamide?
The InChIKey is JOFWLFHCNJMLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-10-4-7-14(11(2)8-10)16-9-15(19)18-17-12(3)13-5-6-13/h4,7-8,13,16H,5-6,9H2,1-3H3,(H,18,19).
What are the key properties of N-(1-cyclopropylethylideneamino)-2-(2,4-dimethylanilino)acetamide?
N-(1-cyclopropylethylideneamino)-2-(2,4-dimethylanilino)acetamide has a molecular weight of 259.35 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethylideneamino)-2-(2,4-dimethylanilino)acetamide is sourced from PubChem (CID 695075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).