3-[4-(3-hydroxyiminobutyl)phenoxy]-N-propan-2-ylpropanamide

C16H24N2O3 — CID 76947263

IUPAC3-[4-(3-hydroxyiminobutyl)phenoxy]-N-propan-2-ylpropanamide
SMILESCC(CCc1ccc(OCCC(=O)NC(C)C)cc1)=NO
InChIInChI=1S/C16H24N2O3/c1-12(2)17-16(19)10-11-21-15-8-6-14(7-9-15)5-4-13(3)18-20/h6-9,12,20H,4-5,10-11H2,1-3H3,(H,17,19)
InChIKeyGOWNNRGTOQZRKQ-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.76
Rot. Bonds8

About 3-[4-(3-hydroxyiminobutyl)phenoxy]-N-propan-2-ylpropanamide

3-[4-(3-hydroxyiminobutyl)phenoxy]-N-propan-2-ylpropanamide (PubChem CID 76947263) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-[4-(3-hydroxyiminobutyl)phenoxy]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[4-(3-hydroxyiminobutyl)phenoxy]-N-propan-2-ylpropanamide
PubChem CID76947263
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name3-[4-(3-hydroxyiminobutyl)phenoxy]-N-propan-2-ylpropanamide
SMILESCC(CCc1ccc(OCCC(=O)NC(C)C)cc1)=NO
InChIInChI=1S/C16H24N2O3/c1-12(2)17-16(19)10-11-21-15-8-6-14(7-9-15)5-4-13(3)18-20/h6-9,12,20H,4-5,10-11H2,1-3H3,(H,17,19)
InChIKeyGOWNNRGTOQZRKQ-UHFFFAOYSA-N
XLogP2.76
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-[4-[(3E)-3-hydroxyiminobutyl]phenoxy]-N-propan-2-ylacetamide
CID 24708762
(NE)-N-[4-[4-(4-methylpentoxy)phenyl]butan-2-ylidene]hydroxylamine
CID 83159110
(NE)-N-[4-[4-[2-(dimethylamino)ethoxy]phenyl]butan-2-ylidene]hydroxylamine
CID 24707329
4-[4-(3-hydroxyiminobutyl)phenoxy]butan-1-ol
CID 76917502
(NE)-N-[4-[4-(3-methoxypropoxy)phenyl]butan-2-ylidene]hydroxylamine
CID 54936027
N-butyl-2-[4-(3-hydroxyiminobutyl)phenoxy]acetamide
CID 76905080
N-propan-2-yl-3-(4-propan-2-yloxyphenyl)propanamide
CID 170371171
3-(4-butan-2-ylphenoxy)-N-propan-2-ylpropanamide
CID 107669047
N-[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]butan-2-ylidene]hydroxylamine
CID 76905275
N-ethyl-2-[4-[(3E)-3-hydroxyiminobutyl]phenoxy]-N-methylacetamide
CID 43309750
2-[4-[(3E)-3-hydroxyiminobutyl]phenoxy]propan-1-ol
CID 114266726
3-(4-ethylphenoxy)-N-[1-(4-ethylphenyl)ethyl]propanamide
CID 108795767

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-hydroxyiminobutyl)phenoxy]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[4-(3-hydroxyiminobutyl)phenoxy]-N-propan-2-ylpropanamide (CID 76947263) is 3-[4-(3-hydroxyiminobutyl)phenoxy]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[4-(3-hydroxyiminobutyl)phenoxy]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[4-(3-hydroxyiminobutyl)phenoxy]-N-propan-2-ylpropanamide is CC(CCc1ccc(OCCC(=O)NC(C)C)cc1)=NO.
What is the InChIKey of 3-[4-(3-hydroxyiminobutyl)phenoxy]-N-propan-2-ylpropanamide?
The InChIKey is GOWNNRGTOQZRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-12(2)17-16(19)10-11-21-15-8-6-14(7-9-15)5-4-13(3)18-20/h6-9,12,20H,4-5,10-11H2,1-3H3,(H,17,19).
What are the key properties of 3-[4-(3-hydroxyiminobutyl)phenoxy]-N-propan-2-ylpropanamide?
3-[4-(3-hydroxyiminobutyl)phenoxy]-N-propan-2-ylpropanamide has a molecular weight of 292.38 g/mol, XLogP of 2.76, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-hydroxyiminobutyl)phenoxy]-N-propan-2-ylpropanamide is sourced from PubChem (CID 76947263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).