3-amino-3-hydroxyimino-2-methyl-N-(4-propan-2-yloxyphenyl)propanamide

C13H19N3O3 — CID 76925190

IUPAC3-amino-3-hydroxyimino-2-methyl-N-(4-propan-2-yloxyphenyl)propanamide
SMILESCC(C)Oc1ccc(NC(=O)C(C)C(N)=NO)cc1
InChIInChI=1S/C13H19N3O3/c1-8(2)19-11-6-4-10(5-7-11)15-13(17)9(3)12(14)16-18/h4-9,18H,1-3H3,(H2,14,16)(H,15,17)
InChIKeyHCWAQRNIRIIRJX-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.79
Rot. Bonds5

About 3-amino-3-hydroxyimino-2-methyl-N-(4-propan-2-yloxyphenyl)propanamide

3-amino-3-hydroxyimino-2-methyl-N-(4-propan-2-yloxyphenyl)propanamide (PubChem CID 76925190) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-amino-3-hydroxyimino-2-methyl-N-(4-propan-2-yloxyphenyl)propanamide.

Molecular Properties

Compound Name3-amino-3-hydroxyimino-2-methyl-N-(4-propan-2-yloxyphenyl)propanamide
PubChem CID76925190
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name3-amino-3-hydroxyimino-2-methyl-N-(4-propan-2-yloxyphenyl)propanamide
SMILESCC(C)Oc1ccc(NC(=O)C(C)C(N)=NO)cc1
InChIInChI=1S/C13H19N3O3/c1-8(2)19-11-6-4-10(5-7-11)15-13(17)9(3)12(14)16-18/h4-9,18H,1-3H3,(H2,14,16)(H,15,17)
InChIKeyHCWAQRNIRIIRJX-UHFFFAOYSA-N
XLogP1.79
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.79
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-(N'-hydroxycarbamimidoyl)-3-methyl-N-(4-propan-2-yloxyphenyl)butanamide
CID 76925332
3-amino-N-(4-tert-butylphenyl)-3-hydroxyimino-2-methylpropanamide
CID 76926765
(2R)-2-hydroxy-N-(4-propan-2-yloxyphenyl)propanamide
CID 94684359
2-amino-3-methyl-N-(4-propan-2-yloxyphenyl)butanamide;hydrochloride
CID 119280468
2-methyl-N-[4-(4-propan-2-yloxyanilino)phenyl]propanamide
CID 112987815
2-amino-3,3-dimethyl-N-(4-propan-2-yloxyphenyl)butanamide
CID 76892558
(2S)-2-amino-4-methyl-N-(4-propan-2-yloxyphenyl)pentanamide
CID 22691065
N'-(4-propan-2-yloxyphenyl)butanediamide
CID 94268902
2-amino-N-(4-propan-2-yloxyphenyl)pentanamide;hydrochloride
CID 119280465
3-amino-2-methyl-3-phenyl-N-(4-propan-2-yloxyphenyl)propanamide
CID 119707089
[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 4-propan-2-yloxybenzoate
CID 7210477
N,N'-bis(4-propan-2-yloxyphenyl)butanediamide
CID 17340345

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-hydroxyimino-2-methyl-N-(4-propan-2-yloxyphenyl)propanamide?
The IUPAC name of 3-amino-3-hydroxyimino-2-methyl-N-(4-propan-2-yloxyphenyl)propanamide (CID 76925190) is 3-amino-3-hydroxyimino-2-methyl-N-(4-propan-2-yloxyphenyl)propanamide.
What is the SMILES notation for 3-amino-3-hydroxyimino-2-methyl-N-(4-propan-2-yloxyphenyl)propanamide?
The canonical SMILES for 3-amino-3-hydroxyimino-2-methyl-N-(4-propan-2-yloxyphenyl)propanamide is CC(C)Oc1ccc(NC(=O)C(C)C(N)=NO)cc1.
What is the InChIKey of 3-amino-3-hydroxyimino-2-methyl-N-(4-propan-2-yloxyphenyl)propanamide?
The InChIKey is HCWAQRNIRIIRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-8(2)19-11-6-4-10(5-7-11)15-13(17)9(3)12(14)16-18/h4-9,18H,1-3H3,(H2,14,16)(H,15,17).
What are the key properties of 3-amino-3-hydroxyimino-2-methyl-N-(4-propan-2-yloxyphenyl)propanamide?
3-amino-3-hydroxyimino-2-methyl-N-(4-propan-2-yloxyphenyl)propanamide has a molecular weight of 265.31 g/mol, XLogP of 1.79, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-hydroxyimino-2-methyl-N-(4-propan-2-yloxyphenyl)propanamide is sourced from PubChem (CID 76925190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).