N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-(4-methoxyphenyl)-N-methylpropanamide

C15H23N3O3 — CID 76910826

IUPACN-(3-amino-3-hydroxyimino-2-methylpropyl)-3-(4-methoxyphenyl)-N-methylpropanamide
SMILESCOc1ccc(CCC(=O)N(C)CC(C)C(N)=NO)cc1
InChIInChI=1S/C15H23N3O3/c1-11(15(16)17-20)10-18(2)14(19)9-6-12-4-7-13(21-3)8-5-12/h4-5,7-8,11,20H,6,9-10H2,1-3H3,(H2,16,17)
InChIKeyZINHZOPQNQOXCA-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.47
Rot. Bonds7

About N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-(4-methoxyphenyl)-N-methylpropanamide

N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-(4-methoxyphenyl)-N-methylpropanamide (PubChem CID 76910826) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-(4-methoxyphenyl)-N-methylpropanamide.

Molecular Properties

Compound NameN-(3-amino-3-hydroxyimino-2-methylpropyl)-3-(4-methoxyphenyl)-N-methylpropanamide
PubChem CID76910826
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC NameN-(3-amino-3-hydroxyimino-2-methylpropyl)-3-(4-methoxyphenyl)-N-methylpropanamide
SMILESCOc1ccc(CCC(=O)N(C)CC(C)C(N)=NO)cc1
InChIInChI=1S/C15H23N3O3/c1-11(15(16)17-20)10-18(2)14(19)9-6-12-4-7-13(21-3)8-5-12/h4-5,7-8,11,20H,6,9-10H2,1-3H3,(H2,16,17)
InChIKeyZINHZOPQNQOXCA-UHFFFAOYSA-N
XLogP1.47
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.47
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

N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-methyl-3-(2-methylphenyl)propanamide
CID 76941574
N-(4-aminobutan-2-yl)-3-(4-methoxyphenyl)-N-methylpropanamide
CID 63225839
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-4-methoxybenzamide
CID 76910706
N-[2-(4-methoxyphenoxy)ethyl]-3-(4-methoxyphenyl)-N-methylpropanamide
CID 78794099
3-amino-3-hydroxyimino-N-[2-(4-methoxyphenyl)ethyl]-2-methylpropanamide
CID 76924867
N-(3-amino-2,2-dimethylpropyl)-3-(4-methoxyphenyl)-N-methylpropanamide
CID 79652961
N'-hydroxy-3-(4-methoxyphenyl)propanimidamide
CID 77069671
N-(2-hydroxypropyl)-2-(4-methoxyphenyl)-N-methylacetamide
CID 62333656
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-2-(3-hydroxyphenyl)-N-methylacetamide
CID 54991694
4-amino-N-[3-(4-methoxyphenyl)propyl]-N-methylpentanamide;hydrochloride
CID 120560875
N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-(2-methoxyethoxy)-N-methylacetamide
CID 114032010
N-(4-methoxyphenyl)-N-methyl-3-(4-methylphenyl)propanamide
CID 172554773

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-(4-methoxyphenyl)-N-methylpropanamide?
The IUPAC name of N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-(4-methoxyphenyl)-N-methylpropanamide (CID 76910826) is N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-(4-methoxyphenyl)-N-methylpropanamide.
What is the SMILES notation for N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-(4-methoxyphenyl)-N-methylpropanamide?
The canonical SMILES for N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-(4-methoxyphenyl)-N-methylpropanamide is COc1ccc(CCC(=O)N(C)CC(C)C(N)=NO)cc1.
What is the InChIKey of N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-(4-methoxyphenyl)-N-methylpropanamide?
The InChIKey is ZINHZOPQNQOXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-11(15(16)17-20)10-18(2)14(19)9-6-12-4-7-13(21-3)8-5-12/h4-5,7-8,11,20H,6,9-10H2,1-3H3,(H2,16,17).
What are the key properties of N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-(4-methoxyphenyl)-N-methylpropanamide?
N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-(4-methoxyphenyl)-N-methylpropanamide has a molecular weight of 293.37 g/mol, XLogP of 1.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-(4-methoxyphenyl)-N-methylpropanamide is sourced from PubChem (CID 76910826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).