N-(3-amino-3-hydroxyiminopropyl)-2-(2-methoxyphenyl)-N-propan-2-ylacetamide

C15H23N3O3 — CID 76911443

IUPACN-(3-amino-3-hydroxyiminopropyl)-2-(2-methoxyphenyl)-N-propan-2-ylacetamide
SMILESCOc1ccccc1CC(=O)N(CCC(N)=NO)C(C)C
InChIInChI=1S/C15H23N3O3/c1-11(2)18(9-8-14(16)17-20)15(19)10-12-6-4-5-7-13(12)21-3/h4-7,11,20H,8-10H2,1-3H3,(H2,16,17)
InChIKeyJVWYBGPDHULZGY-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.61
Rot. Bonds7

About N-(3-amino-3-hydroxyiminopropyl)-2-(2-methoxyphenyl)-N-propan-2-ylacetamide

N-(3-amino-3-hydroxyiminopropyl)-2-(2-methoxyphenyl)-N-propan-2-ylacetamide (PubChem CID 76911443) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-(3-amino-3-hydroxyiminopropyl)-2-(2-methoxyphenyl)-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-(3-amino-3-hydroxyiminopropyl)-2-(2-methoxyphenyl)-N-propan-2-ylacetamide
PubChem CID76911443
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC NameN-(3-amino-3-hydroxyiminopropyl)-2-(2-methoxyphenyl)-N-propan-2-ylacetamide
SMILESCOc1ccccc1CC(=O)N(CCC(N)=NO)C(C)C
InChIInChI=1S/C15H23N3O3/c1-11(2)18(9-8-14(16)17-20)15(19)10-12-6-4-5-7-13(12)21-3/h4-7,11,20H,8-10H2,1-3H3,(H2,16,17)
InChIKeyJVWYBGPDHULZGY-UHFFFAOYSA-N
XLogP1.61
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 ≤ 51.61
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-hydroxyiminopropyl)-2-methoxy-2-phenyl-N-propan-2-ylacetamide
CID 76935034
N'-hydroxy-4-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanimidamide
CID 77070449
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-2-(2-methoxyphenyl)acetamide
CID 76910736
N-(2-amino-2-hydroxyiminoethyl)-2-(2-fluorophenyl)-N-propan-2-ylacetamide
CID 77044509
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2,6-dihydroxy-N-propan-2-ylbenzamide
CID 107690844
3-[[2-(2-methoxy-5-methylphenyl)acetyl]-propan-2-ylamino]propanoic acid
CID 60830398
3-[(2-methoxyphenyl)methyl-propan-2-ylamino]propanoic acid
CID 60833930
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-(2-hydroxyphenyl)-N-methylacetamide
CID 80740980
N-(3-hydroxybutyl)-2-(2-methoxyphenyl)-N-methylacetamide
CID 111695957
2-(2-aminophenyl)-N-(2-methoxyethyl)-N-propan-2-ylacetamide
CID 82949298
N-(3-amino-3-sulfanylidenepropyl)-2-methoxy-N-propan-2-ylbenzamide
CID 54998473
N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2-(2-methoxyphenyl)acetamide
CID 54988516

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-2-(2-methoxyphenyl)-N-propan-2-ylacetamide?
The IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-2-(2-methoxyphenyl)-N-propan-2-ylacetamide (CID 76911443) is N-(3-amino-3-hydroxyiminopropyl)-2-(2-methoxyphenyl)-N-propan-2-ylacetamide.
What is the SMILES notation for N-(3-amino-3-hydroxyiminopropyl)-2-(2-methoxyphenyl)-N-propan-2-ylacetamide?
The canonical SMILES for N-(3-amino-3-hydroxyiminopropyl)-2-(2-methoxyphenyl)-N-propan-2-ylacetamide is COc1ccccc1CC(=O)N(CCC(N)=NO)C(C)C.
What is the InChIKey of N-(3-amino-3-hydroxyiminopropyl)-2-(2-methoxyphenyl)-N-propan-2-ylacetamide?
The InChIKey is JVWYBGPDHULZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-11(2)18(9-8-14(16)17-20)15(19)10-12-6-4-5-7-13(12)21-3/h4-7,11,20H,8-10H2,1-3H3,(H2,16,17).
What are the key properties of N-(3-amino-3-hydroxyiminopropyl)-2-(2-methoxyphenyl)-N-propan-2-ylacetamide?
N-(3-amino-3-hydroxyiminopropyl)-2-(2-methoxyphenyl)-N-propan-2-ylacetamide has a molecular weight of 293.37 g/mol, XLogP of 1.61, 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-hydroxyiminopropyl)-2-(2-methoxyphenyl)-N-propan-2-ylacetamide is sourced from PubChem (CID 76911443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).