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

C15H22N2O3 — CID 24708762

IUPAC2-[4-[(3E)-3-hydroxyiminobutyl]phenoxy]-N-propan-2-ylacetamide
SMILESC/C(CCc1ccc(OCC(=O)NC(C)C)cc1)=N\O
InChIInChI=1S/C15H22N2O3/c1-11(2)16-15(18)10-20-14-8-6-13(7-9-14)5-4-12(3)17-19/h6-9,11,19H,4-5,10H2,1-3H3,(H,16,18)/b17-12+
InChIKeyPWBCNCMRUXNGOL-SFQUDFHCSA-N
MW278.35 g/mol
LogP2.37
Rot. Bonds7

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

2-[4-[(3E)-3-hydroxyiminobutyl]phenoxy]-N-propan-2-ylacetamide (PubChem CID 24708762) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-[4-[(3E)-3-hydroxyiminobutyl]phenoxy]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-[(3E)-3-hydroxyiminobutyl]phenoxy]-N-propan-2-ylacetamide
PubChem CID24708762
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-[4-[(3E)-3-hydroxyiminobutyl]phenoxy]-N-propan-2-ylacetamide
SMILESC/C(CCc1ccc(OCC(=O)NC(C)C)cc1)=N\O
InChIInChI=1S/C15H22N2O3/c1-11(2)16-15(18)10-20-14-8-6-13(7-9-14)5-4-12(3)17-19/h6-9,11,19H,4-5,10H2,1-3H3,(H,16,18)/b17-12+
InChIKeyPWBCNCMRUXNGOL-SFQUDFHCSA-N
XLogP2.37
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.37
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

3-[4-(3-hydroxyiminobutyl)phenoxy]-N-propan-2-ylpropanamide
CID 76947263
N-butyl-2-[4-(3-hydroxyiminobutyl)phenoxy]acetamide
CID 76905080
2-[4-[3-(methylamino)butyl]phenoxy]-N-propan-2-ylacetamide
CID 43279744
N-ethyl-2-[4-[(3E)-3-hydroxyiminobutyl]phenoxy]-N-methylacetamide
CID 43309750
(NE)-N-[4-[4-(4-methylpentoxy)phenyl]butan-2-ylidene]hydroxylamine
CID 83159110
2-phenoxy-N-propan-2-ylacetamide
CID 3614481
2-[4-[(2-methylpropylamino)methyl]phenoxy]-N-propan-2-ylacetamide
CID 63062886
N-propan-2-yl-3-(4-propan-2-yloxyphenyl)propanamide
CID 170371171
2-[4-(3-methylbutoxy)phenoxy]-N-propan-2-ylacetamide
CID 4732908
N-ethyl-2-[4-(3-oxobutyl)phenoxy]acetamide
CID 24701129
2-[4-[(3E)-3-hydroxyiminobutyl]phenoxy]propan-1-ol
CID 114266726
4-[4-(3-hydroxyiminobutyl)phenoxy]butan-1-ol
CID 76917502

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3E)-3-hydroxyiminobutyl]phenoxy]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-[(3E)-3-hydroxyiminobutyl]phenoxy]-N-propan-2-ylacetamide (CID 24708762) is 2-[4-[(3E)-3-hydroxyiminobutyl]phenoxy]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-[(3E)-3-hydroxyiminobutyl]phenoxy]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-[(3E)-3-hydroxyiminobutyl]phenoxy]-N-propan-2-ylacetamide is C/C(CCc1ccc(OCC(=O)NC(C)C)cc1)=N\O.
What is the InChIKey of 2-[4-[(3E)-3-hydroxyiminobutyl]phenoxy]-N-propan-2-ylacetamide?
The InChIKey is PWBCNCMRUXNGOL-SFQUDFHCSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11(2)16-15(18)10-20-14-8-6-13(7-9-14)5-4-12(3)17-19/h6-9,11,19H,4-5,10H2,1-3H3,(H,16,18)/b17-12+.
What are the key properties of 2-[4-[(3E)-3-hydroxyiminobutyl]phenoxy]-N-propan-2-ylacetamide?
2-[4-[(3E)-3-hydroxyiminobutyl]phenoxy]-N-propan-2-ylacetamide has a molecular weight of 278.35 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3E)-3-hydroxyiminobutyl]phenoxy]-N-propan-2-ylacetamide is sourced from PubChem (CID 24708762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).