N-[3-(dimethylamino)propyl]-2-hydroxyimino-2-phenylacetamide

C13H19N3O2 — CID 6808043

IUPACN-[3-(dimethylamino)propyl]-2-hydroxyimino-2-phenylacetamide
SMILESCN(C)CCCNC(=O)C(=NO)c1ccccc1
InChIInChI=1S/C13H19N3O2/c1-16(2)10-6-9-14-13(17)12(15-18)11-7-4-3-5-8-11/h3-5,7-8,18H,6,9-10H2,1-2H3,(H,14,17)
InChIKeyGYTZSSNZKJWKKX-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.93
Rot. Bonds6

About N-[3-(dimethylamino)propyl]-2-hydroxyimino-2-phenylacetamide

N-[3-(dimethylamino)propyl]-2-hydroxyimino-2-phenylacetamide (PubChem CID 6808043) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2-hydroxyimino-2-phenylacetamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2-hydroxyimino-2-phenylacetamide
PubChem CID6808043
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-[3-(dimethylamino)propyl]-2-hydroxyimino-2-phenylacetamide
SMILESCN(C)CCCNC(=O)C(=NO)c1ccccc1
InChIInChI=1S/C13H19N3O2/c1-16(2)10-6-9-14-13(17)12(15-18)11-7-4-3-5-8-11/h3-5,7-8,18H,6,9-10H2,1-2H3,(H,14,17)
InChIKeyGYTZSSNZKJWKKX-UHFFFAOYSA-N
XLogP0.93
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

2-hydroxyimino-N-[3-[3-[(2-hydroxyimino-2-phenylacetyl)amino]propylamino]propyl]-2-phenylacetamide
CID 6801703
N-[2-(diethylamino)ethyl]-2-hydroxyimino-2-phenylacetamide
CID 6803126
(2Z)-N-benzyl-2-hydroxyimino-2-phenylacetamide
CID 6401232
2-benzoyl-N-[3-(dimethylamino)propyl]benzamide
CID 78793921
3-[3-(dimethylamino)propyl]-1,1-diphenylurea
CID 3525114
N'-benzyl-N-[3-(dimethylamino)propyl]-N'-(2-hydroxyethyl)oxamide
CID 108523741
N-[3-[3-benzamidopropyl(methyl)amino]propyl]benzamide
CID 67474503
N-[3-(dimethylamino)propyl]-2-methyl-5-phenylpenta-2,4-dienamide
CID 88603250
N-[3-(dimethylamino)propyl]-N'-(2-ethylphenyl)oxamide
CID 7585187
N-[3-(dimethylamino)propyl]-N'-[(2-fluorophenyl)methyl]oxamide
CID 108524813
4-[3-(dimethylamino)propylcarbamoyl]benzoic acid;hydrochloride
CID 163333032
N-[3-(dimethylamino)propyl]-N'-(2-methoxyphenyl)oxamide
CID 7541651

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2-hydroxyimino-2-phenylacetamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-2-hydroxyimino-2-phenylacetamide (CID 6808043) is N-[3-(dimethylamino)propyl]-2-hydroxyimino-2-phenylacetamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2-hydroxyimino-2-phenylacetamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2-hydroxyimino-2-phenylacetamide is CN(C)CCCNC(=O)C(=NO)c1ccccc1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2-hydroxyimino-2-phenylacetamide?
The InChIKey is GYTZSSNZKJWKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-16(2)10-6-9-14-13(17)12(15-18)11-7-4-3-5-8-11/h3-5,7-8,18H,6,9-10H2,1-2H3,(H,14,17).
What are the key properties of N-[3-(dimethylamino)propyl]-2-hydroxyimino-2-phenylacetamide?
N-[3-(dimethylamino)propyl]-2-hydroxyimino-2-phenylacetamide has a molecular weight of 249.31 g/mol, XLogP of 0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2-hydroxyimino-2-phenylacetamide is sourced from PubChem (CID 6808043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).