N-butyl-2-[4-(3-hydroxyiminobutyl)phenoxy]acetamide

C16H24N2O3 — CID 76905080

IUPACN-butyl-2-[4-(3-hydroxyiminobutyl)phenoxy]acetamide
SMILESCCCCNC(=O)COc1ccc(CCC(C)=NO)cc1
InChIInChI=1S/C16H24N2O3/c1-3-4-11-17-16(19)12-21-15-9-7-14(8-10-15)6-5-13(2)18-20/h7-10,20H,3-6,11-12H2,1-2H3,(H,17,19)
InChIKeyGTCCUAAAKONQKW-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.76
Rot. Bonds9

About N-butyl-2-[4-(3-hydroxyiminobutyl)phenoxy]acetamide

N-butyl-2-[4-(3-hydroxyiminobutyl)phenoxy]acetamide (PubChem CID 76905080) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-butyl-2-[4-(3-hydroxyiminobutyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-butyl-2-[4-(3-hydroxyiminobutyl)phenoxy]acetamide
PubChem CID76905080
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-butyl-2-[4-(3-hydroxyiminobutyl)phenoxy]acetamide
SMILESCCCCNC(=O)COc1ccc(CCC(C)=NO)cc1
InChIInChI=1S/C16H24N2O3/c1-3-4-11-17-16(19)12-21-15-9-7-14(8-10-15)6-5-13(2)18-20/h7-10,20H,3-6,11-12H2,1-2H3,(H,17,19)
InChIKeyGTCCUAAAKONQKW-UHFFFAOYSA-N
XLogP2.76
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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
N-butyl-2-(4-propoxyphenoxy)acetamide
CID 112775304
methyl 2-[4-[2-(butylamino)-2-oxoethoxy]phenyl]acetate
CID 112786526
N-ethyl-2-[4-[(3E)-3-hydroxyiminobutyl]phenoxy]-N-methylacetamide
CID 43309750
4-[2-(butylamino)-2-oxoethoxy]benzoic acid
CID 22645381
3-[4-(3-hydroxyiminobutyl)phenoxy]-N-propan-2-ylpropanamide
CID 76947263
N-butyl-2-[4-[2-(methylamino)propyl]phenoxy]acetamide
CID 115494718
2-[4-(2-aminobutyl)phenoxy]-N-butylacetamide
CID 61485616
N-butyl-2-(4-propan-2-ylphenoxy)acetamide
CID 17142930
N-ethyl-2-[4-(3-oxobutyl)phenoxy]acetamide
CID 24701129
N-butyl-2-[4-[(1S)-1-hydroxyethyl]phenoxy]acetamide
CID 78931016
N-butyl-2-[4-(1-hydroxyethyl)phenoxy]acetamide
CID 54956588

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[4-(3-hydroxyiminobutyl)phenoxy]acetamide?
The IUPAC name of N-butyl-2-[4-(3-hydroxyiminobutyl)phenoxy]acetamide (CID 76905080) is N-butyl-2-[4-(3-hydroxyiminobutyl)phenoxy]acetamide.
What is the SMILES notation for N-butyl-2-[4-(3-hydroxyiminobutyl)phenoxy]acetamide?
The canonical SMILES for N-butyl-2-[4-(3-hydroxyiminobutyl)phenoxy]acetamide is CCCCNC(=O)COc1ccc(CCC(C)=NO)cc1.
What is the InChIKey of N-butyl-2-[4-(3-hydroxyiminobutyl)phenoxy]acetamide?
The InChIKey is GTCCUAAAKONQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-3-4-11-17-16(19)12-21-15-9-7-14(8-10-15)6-5-13(2)18-20/h7-10,20H,3-6,11-12H2,1-2H3,(H,17,19).
What are the key properties of N-butyl-2-[4-(3-hydroxyiminobutyl)phenoxy]acetamide?
N-butyl-2-[4-(3-hydroxyiminobutyl)phenoxy]acetamide has a molecular weight of 292.38 g/mol, XLogP of 2.76, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[4-(3-hydroxyiminobutyl)phenoxy]acetamide is sourced from PubChem (CID 76905080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).