3-amino-3-hydroxyimino-N-[2-(4-methoxyphenyl)ethyl]-2-methylpropanamide

C13H19N3O3 — CID 76924867

IUPAC3-amino-3-hydroxyimino-N-[2-(4-methoxyphenyl)ethyl]-2-methylpropanamide
SMILESCOc1ccc(CCNC(=O)C(C)C(N)=NO)cc1
InChIInChI=1S/C13H19N3O3/c1-9(12(14)16-18)13(17)15-8-7-10-3-5-11(19-2)6-4-10/h3-6,9,18H,7-8H2,1-2H3,(H2,14,16)(H,15,17)
InChIKeyVEZQWVKSCNZBAO-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.74
Rot. Bonds6

About 3-amino-3-hydroxyimino-N-[2-(4-methoxyphenyl)ethyl]-2-methylpropanamide

3-amino-3-hydroxyimino-N-[2-(4-methoxyphenyl)ethyl]-2-methylpropanamide (PubChem CID 76924867) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-amino-3-hydroxyimino-N-[2-(4-methoxyphenyl)ethyl]-2-methylpropanamide.

Molecular Properties

Compound Name3-amino-3-hydroxyimino-N-[2-(4-methoxyphenyl)ethyl]-2-methylpropanamide
PubChem CID76924867
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name3-amino-3-hydroxyimino-N-[2-(4-methoxyphenyl)ethyl]-2-methylpropanamide
SMILESCOc1ccc(CCNC(=O)C(C)C(N)=NO)cc1
InChIInChI=1S/C13H19N3O3/c1-9(12(14)16-18)13(17)15-8-7-10-3-5-11(19-2)6-4-10/h3-6,9,18H,7-8H2,1-2H3,(H2,14,16)(H,15,17)
InChIKeyVEZQWVKSCNZBAO-UHFFFAOYSA-N
XLogP0.74
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.74
H-Bond Donors ≤ 53
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-amino-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 24710031
(2R)-2-hydroxy-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 175743514
(2S)-2-amino-N-[2-(4-methoxyphenyl)ethyl]-3-methylpentanamide
CID 22690831
2-amino-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 43649353
3-amino-4-[2-(4-methoxyphenyl)ethylamino]-4-oxobutanoic acid
CID 18330162
3-amino-N-[2-(4-methoxyphenyl)ethyl]-2-methyl-3-phenylpropanamide
CID 119673161
[(2S)-1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl] 3-(carbamoylamino)propanoate
CID 8955404
N-[2-(4-methoxyphenyl)ethyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 24511975
2-(4-methoxyphenyl)ethanamine;N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 158927905
N-[2-(4-methoxyphenyl)ethyl]-5-methyl-4-oxohexanamide
CID 166676905
2-[2-(4-methoxyphenyl)ethylcarbamoyl]-3,3-dimethylbutanoic acid
CID 116536584
4-methoxy-N-[1-[2-(4-methoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 51157879

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-hydroxyimino-N-[2-(4-methoxyphenyl)ethyl]-2-methylpropanamide?
The IUPAC name of 3-amino-3-hydroxyimino-N-[2-(4-methoxyphenyl)ethyl]-2-methylpropanamide (CID 76924867) is 3-amino-3-hydroxyimino-N-[2-(4-methoxyphenyl)ethyl]-2-methylpropanamide.
What is the SMILES notation for 3-amino-3-hydroxyimino-N-[2-(4-methoxyphenyl)ethyl]-2-methylpropanamide?
The canonical SMILES for 3-amino-3-hydroxyimino-N-[2-(4-methoxyphenyl)ethyl]-2-methylpropanamide is COc1ccc(CCNC(=O)C(C)C(N)=NO)cc1.
What is the InChIKey of 3-amino-3-hydroxyimino-N-[2-(4-methoxyphenyl)ethyl]-2-methylpropanamide?
The InChIKey is VEZQWVKSCNZBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-9(12(14)16-18)13(17)15-8-7-10-3-5-11(19-2)6-4-10/h3-6,9,18H,7-8H2,1-2H3,(H2,14,16)(H,15,17).
What are the key properties of 3-amino-3-hydroxyimino-N-[2-(4-methoxyphenyl)ethyl]-2-methylpropanamide?
3-amino-3-hydroxyimino-N-[2-(4-methoxyphenyl)ethyl]-2-methylpropanamide has a molecular weight of 265.31 g/mol, XLogP of 0.74, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-hydroxyimino-N-[2-(4-methoxyphenyl)ethyl]-2-methylpropanamide is sourced from PubChem (CID 76924867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).