2-[(Z)-[1-amino-2-(dimethylamino)ethylidene]amino]oxy-N-(2,5-dimethylphenyl)propanamide

C15H24N4O2 — CID 167967745

IUPAC2-[(Z)-[1-amino-2-(dimethylamino)ethylidene]amino]oxy-N-(2,5-dimethylphenyl)propanamide
SMILESCc1ccc(C)c(NC(=O)C(C)O/N=C(\N)CN(C)C)c1
InChIInChI=1S/C15H24N4O2/c1-10-6-7-11(2)13(8-10)17-15(20)12(3)21-18-14(16)9-19(4)5/h6-8,12H,9H2,1-5H3,(H2,16,18)(H,17,20)
InChIKeyAYYCTIAFIZVWDE-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.48
Rot. Bonds6

About 2-[(Z)-[1-amino-2-(dimethylamino)ethylidene]amino]oxy-N-(2,5-dimethylphenyl)propanamide

2-[(Z)-[1-amino-2-(dimethylamino)ethylidene]amino]oxy-N-(2,5-dimethylphenyl)propanamide (PubChem CID 167967745) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[(Z)-[1-amino-2-(dimethylamino)ethylidene]amino]oxy-N-(2,5-dimethylphenyl)propanamide.

Molecular Properties

Compound Name2-[(Z)-[1-amino-2-(dimethylamino)ethylidene]amino]oxy-N-(2,5-dimethylphenyl)propanamide
PubChem CID167967745
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name2-[(Z)-[1-amino-2-(dimethylamino)ethylidene]amino]oxy-N-(2,5-dimethylphenyl)propanamide
SMILESCc1ccc(C)c(NC(=O)C(C)O/N=C(\N)CN(C)C)c1
InChIInChI=1S/C15H24N4O2/c1-10-6-7-11(2)13(8-10)17-15(20)12(3)21-18-14(16)9-19(4)5/h6-8,12H,9H2,1-5H3,(H2,16,18)(H,17,20)
InChIKeyAYYCTIAFIZVWDE-UHFFFAOYSA-N
XLogP1.48
TPSA79.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(2S)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl] 4-methylpentanoate
CID 8575763
2-amino-N-(2,5-dimethylphenyl)-4-methylpentanamide
CID 24690389
2-chloro-N-(2,5-dimethylphenyl)propanamide
CID 25218955
(2R)-N-(2,5-dimethylphenyl)-2-(4-methoxyphenoxy)propanamide
CID 719385
(2S)-N-(2,5-dimethylphenyl)-2-(2-ethylphenoxy)propanamide
CID 94011869
[1-(2,5-dimethylanilino)-1-oxopropan-2-yl] 2-phenylbutanoate
CID 46629703
(2S)-2-(4-bromophenoxy)-N-(2,5-dimethylphenyl)propanamide
CID 7376118
N-(2,5-dimethylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide
CID 111750380
[(2S)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl] (2S)-2-(carbamoylamino)-3-phenylpropanoate
CID 8575247
(2S,3R)-N-(2,5-dimethylphenyl)-3-methyl-2-phenylpentanamide
CID 8712534
2-bromo-N-(2,5-dimethylphenyl)-3-methylbutanamide
CID 24710246
[(2R)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl] (3S)-3-(carbamoylamino)-3-phenylpropanoate
CID 42294435

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[1-amino-2-(dimethylamino)ethylidene]amino]oxy-N-(2,5-dimethylphenyl)propanamide?
The IUPAC name of 2-[(Z)-[1-amino-2-(dimethylamino)ethylidene]amino]oxy-N-(2,5-dimethylphenyl)propanamide (CID 167967745) is 2-[(Z)-[1-amino-2-(dimethylamino)ethylidene]amino]oxy-N-(2,5-dimethylphenyl)propanamide.
What is the SMILES notation for 2-[(Z)-[1-amino-2-(dimethylamino)ethylidene]amino]oxy-N-(2,5-dimethylphenyl)propanamide?
The canonical SMILES for 2-[(Z)-[1-amino-2-(dimethylamino)ethylidene]amino]oxy-N-(2,5-dimethylphenyl)propanamide is Cc1ccc(C)c(NC(=O)C(C)O/N=C(\N)CN(C)C)c1.
What is the InChIKey of 2-[(Z)-[1-amino-2-(dimethylamino)ethylidene]amino]oxy-N-(2,5-dimethylphenyl)propanamide?
The InChIKey is AYYCTIAFIZVWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-10-6-7-11(2)13(8-10)17-15(20)12(3)21-18-14(16)9-19(4)5/h6-8,12H,9H2,1-5H3,(H2,16,18)(H,17,20).
What are the key properties of 2-[(Z)-[1-amino-2-(dimethylamino)ethylidene]amino]oxy-N-(2,5-dimethylphenyl)propanamide?
2-[(Z)-[1-amino-2-(dimethylamino)ethylidene]amino]oxy-N-(2,5-dimethylphenyl)propanamide has a molecular weight of 292.38 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[1-amino-2-(dimethylamino)ethylidene]amino]oxy-N-(2,5-dimethylphenyl)propanamide is sourced from PubChem (CID 167967745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).