2-(2,5-dimethylphenoxy)-N-ethyl-N-(4-hydroxybutyl)propanamide

C17H27NO3 — CID 46997752

IUPAC2-(2,5-dimethylphenoxy)-N-ethyl-N-(4-hydroxybutyl)propanamide
SMILESCCN(CCCCO)C(=O)C(C)Oc1cc(C)ccc1C
InChIInChI=1S/C17H27NO3/c1-5-18(10-6-7-11-19)17(20)15(4)21-16-12-13(2)8-9-14(16)3/h8-9,12,15,19H,5-7,10-11H2,1-4H3
InChIKeyULXFONQIDQRNRS-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.69
Rot. Bonds8

About 2-(2,5-dimethylphenoxy)-N-ethyl-N-(4-hydroxybutyl)propanamide

2-(2,5-dimethylphenoxy)-N-ethyl-N-(4-hydroxybutyl)propanamide (PubChem CID 46997752) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-(2,5-dimethylphenoxy)-N-ethyl-N-(4-hydroxybutyl)propanamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenoxy)-N-ethyl-N-(4-hydroxybutyl)propanamide
PubChem CID46997752
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name2-(2,5-dimethylphenoxy)-N-ethyl-N-(4-hydroxybutyl)propanamide
SMILESCCN(CCCCO)C(=O)C(C)Oc1cc(C)ccc1C
InChIInChI=1S/C17H27NO3/c1-5-18(10-6-7-11-19)17(20)15(4)21-16-12-13(2)8-9-14(16)3/h8-9,12,15,19H,5-7,10-11H2,1-4H3
InChIKeyULXFONQIDQRNRS-UHFFFAOYSA-N
XLogP2.69
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-dichlorophenoxy)-N-ethyl-N-(3-hydroxypropyl)propanamide
CID 115771866
3-[ethyl-[2-(5-methyl-2-propan-2-ylphenoxy)propanoyl]amino]propanoic acid
CID 119190845
2-[5-(aminomethyl)-2-methylphenoxy]-N,N-diethylpropanamide
CID 107655685
2-(2,5-dimethylphenoxy)-N-[6-[2-(2,5-dimethylphenoxy)propanoylamino]hexyl]propanamide
CID 4945104
N-ethyl-2-(4-fluorophenoxy)-N-(3-hydroxypropyl)propanamide
CID 115771406
2-(2-chloro-5-methylphenoxy)-N-(3-hydroxypropyl)-N-(pyridin-4-ylmethyl)propanamide
CID 75385932
N-benzyl-N-ethyl-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133162903
2-(2,5-dimethylphenoxy)-N,N-diethylacetamide
CID 920931
N-butyl-N-ethyl-2-phenoxypropanamide
CID 2915016
(2R)-2-(3,5-dimethylphenoxy)-N,N-diethylpropanamide
CID 9173438
2-(2,5-dimethylphenoxy)-N-[4-[2-(2,5-dimethylphenoxy)propanoylamino]phenyl]propanamide
CID 4945097
2-(2,5-dimethylphenoxy)-N-(2-hydroxycyclohexyl)-N-methylpropanamide
CID 56923272

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenoxy)-N-ethyl-N-(4-hydroxybutyl)propanamide?
The IUPAC name of 2-(2,5-dimethylphenoxy)-N-ethyl-N-(4-hydroxybutyl)propanamide (CID 46997752) is 2-(2,5-dimethylphenoxy)-N-ethyl-N-(4-hydroxybutyl)propanamide.
What is the SMILES notation for 2-(2,5-dimethylphenoxy)-N-ethyl-N-(4-hydroxybutyl)propanamide?
The canonical SMILES for 2-(2,5-dimethylphenoxy)-N-ethyl-N-(4-hydroxybutyl)propanamide is CCN(CCCCO)C(=O)C(C)Oc1cc(C)ccc1C.
What is the InChIKey of 2-(2,5-dimethylphenoxy)-N-ethyl-N-(4-hydroxybutyl)propanamide?
The InChIKey is ULXFONQIDQRNRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-5-18(10-6-7-11-19)17(20)15(4)21-16-12-13(2)8-9-14(16)3/h8-9,12,15,19H,5-7,10-11H2,1-4H3.
What are the key properties of 2-(2,5-dimethylphenoxy)-N-ethyl-N-(4-hydroxybutyl)propanamide?
2-(2,5-dimethylphenoxy)-N-ethyl-N-(4-hydroxybutyl)propanamide has a molecular weight of 293.41 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenoxy)-N-ethyl-N-(4-hydroxybutyl)propanamide is sourced from PubChem (CID 46997752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).