N-[2-(diethylamino)ethyl]-2-hydroxyimino-2-phenylacetamide

C14H21N3O2 — CID 6803126

IUPACN-[2-(diethylamino)ethyl]-2-hydroxyimino-2-phenylacetamide
SMILESCCN(CC)CCNC(=O)C(=NO)c1ccccc1
InChIInChI=1S/C14H21N3O2/c1-3-17(4-2)11-10-15-14(18)13(16-19)12-8-6-5-7-9-12/h5-9,19H,3-4,10-11H2,1-2H3,(H,15,18)
InChIKeyIYSLMYDRHPHTLP-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.32
Rot. Bonds7

About N-[2-(diethylamino)ethyl]-2-hydroxyimino-2-phenylacetamide

N-[2-(diethylamino)ethyl]-2-hydroxyimino-2-phenylacetamide (PubChem CID 6803126) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-2-hydroxyimino-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-2-hydroxyimino-2-phenylacetamide
PubChem CID6803126
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-[2-(diethylamino)ethyl]-2-hydroxyimino-2-phenylacetamide
SMILESCCN(CC)CCNC(=O)C(=NO)c1ccccc1
InChIInChI=1S/C14H21N3O2/c1-3-17(4-2)11-10-15-14(18)13(16-19)12-8-6-5-7-9-12/h5-9,19H,3-4,10-11H2,1-2H3,(H,15,18)
InChIKeyIYSLMYDRHPHTLP-UHFFFAOYSA-N
XLogP1.32
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[3-(dimethylamino)propyl]-2-hydroxyimino-2-phenylacetamide
CID 6808043
(2Z)-2-hydroxyimino-2-phenyl-N-(2-phenylethyl)acetamide
CID 6401233
2-hydroxyimino-N-[3-[3-[(2-hydroxyimino-2-phenylacetyl)amino]propylamino]propyl]-2-phenylacetamide
CID 6801703
(2Z)-N-benzyl-2-hydroxyimino-2-phenylacetamide
CID 6401232
N-[2-[2-[2-(diethylamino)ethylamino]-2-oxoacetyl]phenyl]benzamide
CID 3069734
(2Z)-2-(2-amino-1,3-thiazol-4-yl)-N-[2-(diethylamino)ethyl]-2-hydroxyiminoacetamide
CID 40690239
(2E)-2-hydroxyimino-2-phenyl-N-(3-piperidin-1-ium-1-ylpropyl)acetamide
CID 7322149
2-[2-(diethylamino)ethylcarbamoyl]benzoic acid
CID 17218370
(Z)-3-[2-[2-(diethylamino)ethylcarbamoyl]phenyl]-2-hydroxy-3-phenylprop-2-enoic acid
CID 20834316
N-[2-(diethylamino)ethyl]-3,3-diphenylpropanamide
CID 59499353
N-[2-(diethylamino)ethyl]-3-phenoxybenzamide
CID 12941795
N-[2-(diethylamino)ethyl]-N'-naphthalen-1-yloxamide
CID 108522195

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-2-hydroxyimino-2-phenylacetamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-2-hydroxyimino-2-phenylacetamide (CID 6803126) is N-[2-(diethylamino)ethyl]-2-hydroxyimino-2-phenylacetamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-2-hydroxyimino-2-phenylacetamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-2-hydroxyimino-2-phenylacetamide is CCN(CC)CCNC(=O)C(=NO)c1ccccc1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-2-hydroxyimino-2-phenylacetamide?
The InChIKey is IYSLMYDRHPHTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-3-17(4-2)11-10-15-14(18)13(16-19)12-8-6-5-7-9-12/h5-9,19H,3-4,10-11H2,1-2H3,(H,15,18).
What are the key properties of N-[2-(diethylamino)ethyl]-2-hydroxyimino-2-phenylacetamide?
N-[2-(diethylamino)ethyl]-2-hydroxyimino-2-phenylacetamide has a molecular weight of 263.34 g/mol, XLogP of 1.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-2-hydroxyimino-2-phenylacetamide is sourced from PubChem (CID 6803126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).