3-amino-3-hydroxyimino-N,2,2-trimethyl-N-(2-pyridin-2-ylethyl)propanamide

C13H20N4O2 — CID 76919338

IUPAC3-amino-3-hydroxyimino-N,2,2-trimethyl-N-(2-pyridin-2-ylethyl)propanamide
SMILESCN(CCc1ccccn1)C(=O)C(C)(C)C(N)=NO
InChIInChI=1S/C13H20N4O2/c1-13(2,11(14)16-19)12(18)17(3)9-7-10-6-4-5-8-15-10/h4-6,8,19H,7,9H2,1-3H3,(H2,14,16)
InChIKeyICJHPRCWFKBEII-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.86
Rot. Bonds5

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

3-amino-3-hydroxyimino-N,2,2-trimethyl-N-(2-pyridin-2-ylethyl)propanamide (PubChem CID 76919338) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 3-amino-3-hydroxyimino-N,2,2-trimethyl-N-(2-pyridin-2-ylethyl)propanamide.

Molecular Properties

Compound Name3-amino-3-hydroxyimino-N,2,2-trimethyl-N-(2-pyridin-2-ylethyl)propanamide
PubChem CID76919338
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name3-amino-3-hydroxyimino-N,2,2-trimethyl-N-(2-pyridin-2-ylethyl)propanamide
SMILESCN(CCc1ccccn1)C(=O)C(C)(C)C(N)=NO
InChIInChI=1S/C13H20N4O2/c1-13(2,11(14)16-19)12(18)17(3)9-7-10-6-4-5-8-15-10/h4-6,8,19H,7,9H2,1-3H3,(H2,14,16)
InChIKeyICJHPRCWFKBEII-UHFFFAOYSA-N
XLogP0.86
TPSA91.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.86
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide
CID 116816951
(3Z)-3-amino-3-hydroxyimino-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 43156182
3-amino-3-hydroxyimino-N,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide
CID 76926661
2-(2-fluorophenyl)-N,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide
CID 60616184
ethane;N-methyl-N-(2-pyridin-2-ylethyl)acetamide
CID 143678158
1-[(Z)-N'-hydroxycarbamimidoyl]-N-methyl-N-(2-pyridin-2-ylethyl)cyclobutane-1-carboxamide
CID 80590459
1-(N'-hydroxycarbamimidoyl)-N-methyl-N-(2-pyridin-2-ylethyl)cyclopentane-1-carboxamide
CID 76919337
2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoacetic acid
CID 43445021
N-methyl-N-(2-pyridin-2-ylethyl)prop-1-en-2-amine
CID 178172839
ethane;N-methyl-N-(2-pyridin-2-ylethyl)prop-1-en-2-amine
CID 178172838
2-[(Z)-N'-hydroxycarbamimidoyl]-2-methyl-N-(2-pyridin-2-ylethyl)butanamide
CID 114292605
6-methoxy-N,2,2,4,4-pentamethyl-N-(2-pyridin-2-ylethyl)hexanamide
CID 178172521

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-hydroxyimino-N,2,2-trimethyl-N-(2-pyridin-2-ylethyl)propanamide?
The IUPAC name of 3-amino-3-hydroxyimino-N,2,2-trimethyl-N-(2-pyridin-2-ylethyl)propanamide (CID 76919338) is 3-amino-3-hydroxyimino-N,2,2-trimethyl-N-(2-pyridin-2-ylethyl)propanamide.
What is the SMILES notation for 3-amino-3-hydroxyimino-N,2,2-trimethyl-N-(2-pyridin-2-ylethyl)propanamide?
The canonical SMILES for 3-amino-3-hydroxyimino-N,2,2-trimethyl-N-(2-pyridin-2-ylethyl)propanamide is CN(CCc1ccccn1)C(=O)C(C)(C)C(N)=NO.
What is the InChIKey of 3-amino-3-hydroxyimino-N,2,2-trimethyl-N-(2-pyridin-2-ylethyl)propanamide?
The InChIKey is ICJHPRCWFKBEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-13(2,11(14)16-19)12(18)17(3)9-7-10-6-4-5-8-15-10/h4-6,8,19H,7,9H2,1-3H3,(H2,14,16).
What are the key properties of 3-amino-3-hydroxyimino-N,2,2-trimethyl-N-(2-pyridin-2-ylethyl)propanamide?
3-amino-3-hydroxyimino-N,2,2-trimethyl-N-(2-pyridin-2-ylethyl)propanamide has a molecular weight of 264.33 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-hydroxyimino-N,2,2-trimethyl-N-(2-pyridin-2-ylethyl)propanamide is sourced from PubChem (CID 76919338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).