5-[4-(2-hydroxyethyl)phenoxy]-2-methyl-2-(methylamino)pentanamide

C15H24N2O3 — CID 107709955

IUPAC5-[4-(2-hydroxyethyl)phenoxy]-2-methyl-2-(methylamino)pentanamide
SMILESCNC(C)(CCCOc1ccc(CCO)cc1)C(N)=O
InChIInChI=1S/C15H24N2O3/c1-15(17-2,14(16)19)9-3-11-20-13-6-4-12(5-7-13)8-10-18/h4-7,17-18H,3,8-11H2,1-2H3,(H2,16,19)
InChIKeyVUFRUCHZIAPIMQ-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.84
Rot. Bonds9

About 5-[4-(2-hydroxyethyl)phenoxy]-2-methyl-2-(methylamino)pentanamide

5-[4-(2-hydroxyethyl)phenoxy]-2-methyl-2-(methylamino)pentanamide (PubChem CID 107709955) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 5-[4-(2-hydroxyethyl)phenoxy]-2-methyl-2-(methylamino)pentanamide.

Molecular Properties

Compound Name5-[4-(2-hydroxyethyl)phenoxy]-2-methyl-2-(methylamino)pentanamide
PubChem CID107709955
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name5-[4-(2-hydroxyethyl)phenoxy]-2-methyl-2-(methylamino)pentanamide
SMILESCNC(C)(CCCOc1ccc(CCO)cc1)C(N)=O
InChIInChI=1S/C15H24N2O3/c1-15(17-2,14(16)19)9-3-11-20-13-6-4-12(5-7-13)8-10-18/h4-7,17-18H,3,8-11H2,1-2H3,(H2,16,19)
InChIKeyVUFRUCHZIAPIMQ-UHFFFAOYSA-N
XLogP0.84
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[4-(2-hydroxyethyl)phenoxy]-2-methyl-2-(methylamino)propanoate
CID 107709939
methyl 2-amino-6-[4-(2-hydroxyethyl)phenoxy]-2-methylhexanoate
CID 107709921
methyl 4-(4-butylphenoxy)-2-methyl-2-(methylamino)butanoate
CID 115493155
tert-butyl 3-[4-(2-hydroxyethyl)phenoxy]propanoate
CID 46841627
6-[4-(2-hydroxyethyl)phenoxy]hexanehydrazide
CID 107710067
2-amino-6-(4-butylphenoxy)-2-methylhexanamide
CID 115493137
3-[4-(2-hydroxyethyl)phenoxy]-2-methyl-2-(propan-2-ylamino)propanoic acid
CID 107709862
5-[2-(2-methoxyethoxy)ethoxy]-2-methyl-2-(methylamino)pentanamide
CID 104565427
ethyl 3-[4-(2-hydroxyethyl)phenoxy]propanoate
CID 86193635
[amino-[4-[10-[4-(2-hydroxyethyl)phenoxy]decoxy]phenyl]methylidene]azanium chloride
CID 142589403
2-[4-[2-(dimethylamino)ethoxy]phenyl]ethanol
CID 83390498
(3S)-4-[4-(2-hydroxyethyl)phenoxy]-3-methylbutanamide
CID 123476714

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-hydroxyethyl)phenoxy]-2-methyl-2-(methylamino)pentanamide?
The IUPAC name of 5-[4-(2-hydroxyethyl)phenoxy]-2-methyl-2-(methylamino)pentanamide (CID 107709955) is 5-[4-(2-hydroxyethyl)phenoxy]-2-methyl-2-(methylamino)pentanamide.
What is the SMILES notation for 5-[4-(2-hydroxyethyl)phenoxy]-2-methyl-2-(methylamino)pentanamide?
The canonical SMILES for 5-[4-(2-hydroxyethyl)phenoxy]-2-methyl-2-(methylamino)pentanamide is CNC(C)(CCCOc1ccc(CCO)cc1)C(N)=O.
What is the InChIKey of 5-[4-(2-hydroxyethyl)phenoxy]-2-methyl-2-(methylamino)pentanamide?
The InChIKey is VUFRUCHZIAPIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-15(17-2,14(16)19)9-3-11-20-13-6-4-12(5-7-13)8-10-18/h4-7,17-18H,3,8-11H2,1-2H3,(H2,16,19).
What are the key properties of 5-[4-(2-hydroxyethyl)phenoxy]-2-methyl-2-(methylamino)pentanamide?
5-[4-(2-hydroxyethyl)phenoxy]-2-methyl-2-(methylamino)pentanamide has a molecular weight of 280.37 g/mol, XLogP of 0.84, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-hydroxyethyl)phenoxy]-2-methyl-2-(methylamino)pentanamide is sourced from PubChem (CID 107709955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).