(2E)-N-(2,6-dimethylphenyl)-2-hydroxyiminopropanamide

C11H14N2O2 — CID 176944148

IUPAC(2E)-N-(2,6-dimethylphenyl)-2-hydroxyiminopropanamide
SMILESC/C(=N\O)C(=O)Nc1c(C)cccc1C
InChIInChI=1S/C11H14N2O2/c1-7-5-4-6-8(2)10(7)12-11(14)9(3)13-15/h4-6,15H,1-3H3,(H,12,14)/b13-9+
InChIKeyKDXVNGMXNDIKBB-UKTHLTGXSA-N
MW206.24 g/mol
LogP2.09
Rot. Bonds2

About (2E)-N-(2,6-dimethylphenyl)-2-hydroxyiminopropanamide

(2E)-N-(2,6-dimethylphenyl)-2-hydroxyiminopropanamide (PubChem CID 176944148) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is (2E)-N-(2,6-dimethylphenyl)-2-hydroxyiminopropanamide.

Molecular Properties

Compound Name(2E)-N-(2,6-dimethylphenyl)-2-hydroxyiminopropanamide
PubChem CID176944148
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name(2E)-N-(2,6-dimethylphenyl)-2-hydroxyiminopropanamide
SMILESC/C(=N\O)C(=O)Nc1c(C)cccc1C
InChIInChI=1S/C11H14N2O2/c1-7-5-4-6-8(2)10(7)12-11(14)9(3)13-15/h4-6,15H,1-3H3,(H,12,14)/b13-9+
InChIKeyKDXVNGMXNDIKBB-UKTHLTGXSA-N
XLogP2.09
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis(2,6-dimethylphenyl)oxamide
CID 3764178
N-(2,6-dimethylphenyl)-N'-(2,4,6-trimethylphenyl)oxamide
CID 108512317
2-amino-N-(2,6-dimethylphenyl)-2-iminoacetamide
CID 57023460
N,3-bis(2,6-dimethylphenyl)-2-oxopropanamide
CID 158625322
N-(2,6-dimethylphenyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 43333180
N,N'-bis(2-ethyl-6-methylphenyl)oxamide
CID 3725747
N-(4-chlorophenyl)-N'-(2,6-dimethylphenyl)oxamide
CID 108516687
N-(2-amino-5-methylphenyl)-N'-(2,6-dimethylphenyl)oxamide
CID 108532425
(Z)-N-(2,6-dimethylphenyl)-3-hydroxybut-2-enamide
CID 139239578
N'-(2,6-dimethylphenyl)-N-(3-fluorophenyl)oxamide
CID 108531930
1-(diaminomethylidene)-3-(2,6-dimethylphenyl)urea;hydrochloride
CID 3052078
1-(2,6-dimethylphenyl)-3-(2-methylprop-1-enyl)urea
CID 108910047

Frequently Asked Questions

What is the IUPAC name of (2E)-N-(2,6-dimethylphenyl)-2-hydroxyiminopropanamide?
The IUPAC name of (2E)-N-(2,6-dimethylphenyl)-2-hydroxyiminopropanamide (CID 176944148) is (2E)-N-(2,6-dimethylphenyl)-2-hydroxyiminopropanamide.
What is the SMILES notation for (2E)-N-(2,6-dimethylphenyl)-2-hydroxyiminopropanamide?
The canonical SMILES for (2E)-N-(2,6-dimethylphenyl)-2-hydroxyiminopropanamide is C/C(=N\O)C(=O)Nc1c(C)cccc1C.
What is the InChIKey of (2E)-N-(2,6-dimethylphenyl)-2-hydroxyiminopropanamide?
The InChIKey is KDXVNGMXNDIKBB-UKTHLTGXSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-7-5-4-6-8(2)10(7)12-11(14)9(3)13-15/h4-6,15H,1-3H3,(H,12,14)/b13-9+.
What are the key properties of (2E)-N-(2,6-dimethylphenyl)-2-hydroxyiminopropanamide?
(2E)-N-(2,6-dimethylphenyl)-2-hydroxyiminopropanamide has a molecular weight of 206.24 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-(2,6-dimethylphenyl)-2-hydroxyiminopropanamide is sourced from PubChem (CID 176944148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).