N-ethyl-2-[4-[(3E)-3-hydroxyiminobutyl]phenoxy]-N-methylacetamide

C15H22N2O3 — CID 43309750

IUPACN-ethyl-2-[4-[(3E)-3-hydroxyiminobutyl]phenoxy]-N-methylacetamide
SMILESCCN(C)C(=O)COc1ccc(CC/C(C)=N/O)cc1
InChIInChI=1S/C15H22N2O3/c1-4-17(3)15(18)11-20-14-9-7-13(8-10-14)6-5-12(2)16-19/h7-10,19H,4-6,11H2,1-3H3/b16-12+
InChIKeyUOSHRFKFYWWPFR-FOWTUZBSSA-N
MW278.35 g/mol
LogP2.33
Rot. Bonds7

About N-ethyl-2-[4-[(3E)-3-hydroxyiminobutyl]phenoxy]-N-methylacetamide

N-ethyl-2-[4-[(3E)-3-hydroxyiminobutyl]phenoxy]-N-methylacetamide (PubChem CID 43309750) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-ethyl-2-[4-[(3E)-3-hydroxyiminobutyl]phenoxy]-N-methylacetamide.

Molecular Properties

Compound NameN-ethyl-2-[4-[(3E)-3-hydroxyiminobutyl]phenoxy]-N-methylacetamide
PubChem CID43309750
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-ethyl-2-[4-[(3E)-3-hydroxyiminobutyl]phenoxy]-N-methylacetamide
SMILESCCN(C)C(=O)COc1ccc(CC/C(C)=N/O)cc1
InChIInChI=1S/C15H22N2O3/c1-4-17(3)15(18)11-20-14-9-7-13(8-10-14)6-5-12(2)16-19/h7-10,19H,4-6,11H2,1-3H3/b16-12+
InChIKeyUOSHRFKFYWWPFR-FOWTUZBSSA-N
XLogP2.33
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.33
H-Bond Donors ≤ 51
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-[2-[ethyl(methyl)amino]-2-oxoethoxy]phenyl]acetic acid
CID 43309389
N-butyl-2-[4-(3-hydroxyiminobutyl)phenoxy]acetamide
CID 76905080
2-[4-[(3E)-3-hydroxyiminobutyl]phenoxy]-N-propan-2-ylacetamide
CID 24708762
(NE)-N-[4-[4-[2-(dimethylamino)ethoxy]phenyl]butan-2-ylidene]hydroxylamine
CID 24707329
3-[4-(3-hydroxyiminobutyl)phenoxy]-N-propan-2-ylpropanamide
CID 76947263
N-ethyl-N-methyl-2-(4-propanoylphenoxy)acetamide
CID 43243911
(NE)-N-[4-[4-(3-methoxypropoxy)phenyl]butan-2-ylidene]hydroxylamine
CID 54936027
4-[4-(3-hydroxyiminobutyl)phenoxy]butan-1-ol
CID 76917502
(NE)-N-[4-[4-(4-methylpentoxy)phenyl]butan-2-ylidene]hydroxylamine
CID 83159110
(NZ)-N-[4-(4-phenoxyphenyl)butan-2-ylidene]hydroxylamine
CID 21296282
methanol;3-[4-[2-[methyl(naphthalen-1-ylmethyl)amino]-2-oxoethoxy]phenyl]propanoic acid
CID 142868295
N-[4-[4-[(3-bromothiophen-2-yl)methoxy]phenyl]butan-2-ylidene]hydroxylamine
CID 76917671

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-[(3E)-3-hydroxyiminobutyl]phenoxy]-N-methylacetamide?
The IUPAC name of N-ethyl-2-[4-[(3E)-3-hydroxyiminobutyl]phenoxy]-N-methylacetamide (CID 43309750) is N-ethyl-2-[4-[(3E)-3-hydroxyiminobutyl]phenoxy]-N-methylacetamide.
What is the SMILES notation for N-ethyl-2-[4-[(3E)-3-hydroxyiminobutyl]phenoxy]-N-methylacetamide?
The canonical SMILES for N-ethyl-2-[4-[(3E)-3-hydroxyiminobutyl]phenoxy]-N-methylacetamide is CCN(C)C(=O)COc1ccc(CC/C(C)=N/O)cc1.
What is the InChIKey of N-ethyl-2-[4-[(3E)-3-hydroxyiminobutyl]phenoxy]-N-methylacetamide?
The InChIKey is UOSHRFKFYWWPFR-FOWTUZBSSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-4-17(3)15(18)11-20-14-9-7-13(8-10-14)6-5-12(2)16-19/h7-10,19H,4-6,11H2,1-3H3/b16-12+.
What are the key properties of N-ethyl-2-[4-[(3E)-3-hydroxyiminobutyl]phenoxy]-N-methylacetamide?
N-ethyl-2-[4-[(3E)-3-hydroxyiminobutyl]phenoxy]-N-methylacetamide has a molecular weight of 278.35 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-[(3E)-3-hydroxyiminobutyl]phenoxy]-N-methylacetamide is sourced from PubChem (CID 43309750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).