3-amino-3-hydroxyimino-N,2,2-trimethyl-N-(2-phenylethyl)propanamide

C14H21N3O2 — CID 77070473

IUPAC3-amino-3-hydroxyimino-N,2,2-trimethyl-N-(2-phenylethyl)propanamide
SMILESCN(CCc1ccccc1)C(=O)C(C)(C)C(N)=NO
InChIInChI=1S/C14H21N3O2/c1-14(2,12(15)16-19)13(18)17(3)10-9-11-7-5-4-6-8-11/h4-8,19H,9-10H2,1-3H3,(H2,15,16)
InChIKeyCXEKWVBYWJVJHY-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.46
Rot. Bonds5

About 3-amino-3-hydroxyimino-N,2,2-trimethyl-N-(2-phenylethyl)propanamide

3-amino-3-hydroxyimino-N,2,2-trimethyl-N-(2-phenylethyl)propanamide (PubChem CID 77070473) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-amino-3-hydroxyimino-N,2,2-trimethyl-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound Name3-amino-3-hydroxyimino-N,2,2-trimethyl-N-(2-phenylethyl)propanamide
PubChem CID77070473
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name3-amino-3-hydroxyimino-N,2,2-trimethyl-N-(2-phenylethyl)propanamide
SMILESCN(CCc1ccccc1)C(=O)C(C)(C)C(N)=NO
InChIInChI=1S/C14H21N3O2/c1-14(2,12(15)16-19)13(18)17(3)10-9-11-7-5-4-6-8-11/h4-8,19H,9-10H2,1-3H3,(H2,15,16)
InChIKeyCXEKWVBYWJVJHY-UHFFFAOYSA-N
XLogP1.46
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

3-amino-N,2,2-trimethyl-N-(2-phenylethyl)-3-sulfanylidenepropanamide
CID 65487462
3-amino-3-hydroxyimino-N,2,2-trimethyl-N-(2-pyridin-2-ylethyl)propanamide
CID 76919338
3-amino-N,2,2-trimethyl-N-(2-phenylethyl)propanamide;hydrochloride
CID 119706013
N,2-dimethyl-2-(methylamino)-N-(2-phenylethyl)propanamide
CID 62846352
N'-hydroxy-2,2-dimethyl-4-[methyl(2-phenylethyl)amino]butanimidamide
CID 77070479
N-benzyl-N,N',2,2-tetramethyl-N'-(2-pyridin-4-ylethyl)propanediamide
CID 108962257
3-amino-N-ethyl-3-hydroxyimino-N,2,2-trimethylpropanamide
CID 76919558
3-carbamoyl-1-methyl-1-(2-phenylethyl)urea
CID 23220
benzyl N-[2-[(3-chloro-2,2-dimethyl-3-oxopropanoyl)-methylamino]ethyl]-N-methylcarbamate
CID 59256379
2-bromo-N,2-dimethyl-N-(4-phenylbutyl)propanamide
CID 114328216
(2R)-2-amino-N,3-dimethyl-N-(2-phenylethyl)butanamide
CID 79012795
3-amino-N-(2-fluorophenyl)-3-hydroxyimino-N,2,2-trimethylpropanamide
CID 76930946

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-hydroxyimino-N,2,2-trimethyl-N-(2-phenylethyl)propanamide?
The IUPAC name of 3-amino-3-hydroxyimino-N,2,2-trimethyl-N-(2-phenylethyl)propanamide (CID 77070473) is 3-amino-3-hydroxyimino-N,2,2-trimethyl-N-(2-phenylethyl)propanamide.
What is the SMILES notation for 3-amino-3-hydroxyimino-N,2,2-trimethyl-N-(2-phenylethyl)propanamide?
The canonical SMILES for 3-amino-3-hydroxyimino-N,2,2-trimethyl-N-(2-phenylethyl)propanamide is CN(CCc1ccccc1)C(=O)C(C)(C)C(N)=NO.
What is the InChIKey of 3-amino-3-hydroxyimino-N,2,2-trimethyl-N-(2-phenylethyl)propanamide?
The InChIKey is CXEKWVBYWJVJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-14(2,12(15)16-19)13(18)17(3)10-9-11-7-5-4-6-8-11/h4-8,19H,9-10H2,1-3H3,(H2,15,16).
What are the key properties of 3-amino-3-hydroxyimino-N,2,2-trimethyl-N-(2-phenylethyl)propanamide?
3-amino-3-hydroxyimino-N,2,2-trimethyl-N-(2-phenylethyl)propanamide has a molecular weight of 263.34 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-hydroxyimino-N,2,2-trimethyl-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 77070473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).