(3Z)-3-amino-N-(3-bromo-5-methoxyphenyl)-3-hydroxyimino-2-methylpropanamide

C11H14BrN3O3 — CID 82860752

IUPAC(3Z)-3-amino-N-(3-bromo-5-methoxyphenyl)-3-hydroxyimino-2-methylpropanamide
SMILESCOc1cc(Br)cc(NC(=O)C(C)/C(N)=N/O)c1
InChIInChI=1S/C11H14BrN3O3/c1-6(10(13)15-17)11(16)14-8-3-7(12)4-9(5-8)18-2/h3-6,17H,1-2H3,(H2,13,15)(H,14,16)
InChIKeyIDTNOXSFTHJQOS-UHFFFAOYSA-N
MW316.16 g/mol
LogP1.78
Rot. Bonds4

About (3Z)-3-amino-N-(3-bromo-5-methoxyphenyl)-3-hydroxyimino-2-methylpropanamide

(3Z)-3-amino-N-(3-bromo-5-methoxyphenyl)-3-hydroxyimino-2-methylpropanamide (PubChem CID 82860752) has the molecular formula C11H14BrN3O3 and a molecular weight of 316.16 g/mol. Its IUPAC name is (3Z)-3-amino-N-(3-bromo-5-methoxyphenyl)-3-hydroxyimino-2-methylpropanamide.

Molecular Properties

Compound Name(3Z)-3-amino-N-(3-bromo-5-methoxyphenyl)-3-hydroxyimino-2-methylpropanamide
PubChem CID82860752
Molecular FormulaC11H14BrN3O3
Molecular Weight316.16 g/mol
Exact Mass315.02
IUPAC Name(3Z)-3-amino-N-(3-bromo-5-methoxyphenyl)-3-hydroxyimino-2-methylpropanamide
SMILESCOc1cc(Br)cc(NC(=O)C(C)/C(N)=N/O)c1
InChIInChI=1S/C11H14BrN3O3/c1-6(10(13)15-17)11(16)14-8-3-7(12)4-9(5-8)18-2/h3-6,17H,1-2H3,(H2,13,15)(H,14,16)
InChIKeyIDTNOXSFTHJQOS-UHFFFAOYSA-N
XLogP1.78
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.16
LogP ≤ 51.78
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

(2S)-2-amino-N-(3-bromo-5-methoxyphenyl)-3-methylbutanamide
CID 82868308
4-(3-bromo-5-methoxyanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103499054
3-amino-N-(3-bromo-5-methoxyphenyl)-2-methoxypropanamide
CID 106113513
3-amino-3-hydroxyimino-2-methyl-N-(4-propan-2-yloxyphenyl)propanamide
CID 76925190
3-(3-bromo-5-methoxyanilino)-N'-hydroxybutanimidamide
CID 82867427
ethyl N-(3-bromo-5-methoxyphenyl)carbamate
CID 82859669
2-[(3-bromo-5-methoxyphenyl)carbamoylamino]propanoic acid
CID 82860111
1-(3-bromo-5-methoxyphenyl)-3-(3,5-dichlorophenyl)urea
CID 175722040
3-amino-N-(4-tert-butylphenyl)-3-hydroxyimino-2-methylpropanamide
CID 76926765
2-(4-bromophenoxy)-N-(3,5-dimethoxyphenyl)propanamide
CID 2953803
3-amino-N-(3-bromo-5-methoxyphenyl)-2,2-dimethylpropanamide
CID 82867396
3-amino-N-(3-bromo-5-methoxyphenyl)-4,4-dimethylpentanamide
CID 82868226

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-amino-N-(3-bromo-5-methoxyphenyl)-3-hydroxyimino-2-methylpropanamide?
The IUPAC name of (3Z)-3-amino-N-(3-bromo-5-methoxyphenyl)-3-hydroxyimino-2-methylpropanamide (CID 82860752) is (3Z)-3-amino-N-(3-bromo-5-methoxyphenyl)-3-hydroxyimino-2-methylpropanamide.
What is the SMILES notation for (3Z)-3-amino-N-(3-bromo-5-methoxyphenyl)-3-hydroxyimino-2-methylpropanamide?
The canonical SMILES for (3Z)-3-amino-N-(3-bromo-5-methoxyphenyl)-3-hydroxyimino-2-methylpropanamide is COc1cc(Br)cc(NC(=O)C(C)/C(N)=N/O)c1.
What is the InChIKey of (3Z)-3-amino-N-(3-bromo-5-methoxyphenyl)-3-hydroxyimino-2-methylpropanamide?
The InChIKey is IDTNOXSFTHJQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O3/c1-6(10(13)15-17)11(16)14-8-3-7(12)4-9(5-8)18-2/h3-6,17H,1-2H3,(H2,13,15)(H,14,16).
What are the key properties of (3Z)-3-amino-N-(3-bromo-5-methoxyphenyl)-3-hydroxyimino-2-methylpropanamide?
(3Z)-3-amino-N-(3-bromo-5-methoxyphenyl)-3-hydroxyimino-2-methylpropanamide has a molecular weight of 316.16 g/mol, XLogP of 1.78, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-amino-N-(3-bromo-5-methoxyphenyl)-3-hydroxyimino-2-methylpropanamide is sourced from PubChem (CID 82860752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).