N-[(2,6-diethylphenyl)-methoxymethyl]-2-hydroxyacetamide

C14H21NO3 — CID 134822163

IUPACN-[(2,6-diethylphenyl)-methoxymethyl]-2-hydroxyacetamide
SMILESCCc1cccc(CC)c1C(NC(=O)CO)OC
InChIInChI=1S/C14H21NO3/c1-4-10-7-6-8-11(5-2)13(10)14(18-3)15-12(17)9-16/h6-8,14,16H,4-5,9H2,1-3H3,(H,15,17)
InChIKeyPPNJFSKGBBVYFO-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.56
Rot. Bonds6

About N-[(2,6-diethylphenyl)-methoxymethyl]-2-hydroxyacetamide

N-[(2,6-diethylphenyl)-methoxymethyl]-2-hydroxyacetamide (PubChem CID 134822163) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[(2,6-diethylphenyl)-methoxymethyl]-2-hydroxyacetamide.

Molecular Properties

Compound NameN-[(2,6-diethylphenyl)-methoxymethyl]-2-hydroxyacetamide
PubChem CID134822163
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC NameN-[(2,6-diethylphenyl)-methoxymethyl]-2-hydroxyacetamide
SMILESCCc1cccc(CC)c1C(NC(=O)CO)OC
InChIInChI=1S/C14H21NO3/c1-4-10-7-6-8-11(5-2)13(10)14(18-3)15-12(17)9-16/h6-8,14,16H,4-5,9H2,1-3H3,(H,15,17)
InChIKeyPPNJFSKGBBVYFO-UHFFFAOYSA-N
XLogP1.56
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

bis(1,3-diethyl-2-propan-2-ylbenzene);bis(2-methylpropane)
CID 159950653
2-chloro-2-(2,6-diethylphenyl)acetamide
CID 70479437
1-amino-3-(2,6-diethylphenyl)-3-methoxy-2-oxopropane-1-sulfonic acid
CID 20977237
2-(2,6-diethylanilino)-N-(1-methoxypropan-2-yl)acetamide
CID 62328026
(2R)-2-amino-2-(2-ethyl-6-fluorophenyl)ethanol
CID 130648488
(2-ethylphenyl) methyl carbonate
CID 67179071
methyl 2-[2-ethyl-6-(4-methoxybenzoyl)phenyl]-2-methoxyacetate
CID 141101425
methyl (2R)-2-amino-2-(3-ethyl-2-hydroxyphenyl)acetate
CID 171253853
(2R)-2-methoxy-N-phenylpentanamide
CID 70193042
methyl (2S)-2-amino-3-[2-(2-ethylphenyl)phenyl]propanoate
CID 90931571
2-(2,6-diethylanilino)-N-(3-methylbutan-2-yl)acetamide
CID 62328197
N-(2,3-diethylphenyl)propanamide
CID 142121633

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-diethylphenyl)-methoxymethyl]-2-hydroxyacetamide?
The IUPAC name of N-[(2,6-diethylphenyl)-methoxymethyl]-2-hydroxyacetamide (CID 134822163) is N-[(2,6-diethylphenyl)-methoxymethyl]-2-hydroxyacetamide.
What is the SMILES notation for N-[(2,6-diethylphenyl)-methoxymethyl]-2-hydroxyacetamide?
The canonical SMILES for N-[(2,6-diethylphenyl)-methoxymethyl]-2-hydroxyacetamide is CCc1cccc(CC)c1C(NC(=O)CO)OC.
What is the InChIKey of N-[(2,6-diethylphenyl)-methoxymethyl]-2-hydroxyacetamide?
The InChIKey is PPNJFSKGBBVYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-4-10-7-6-8-11(5-2)13(10)14(18-3)15-12(17)9-16/h6-8,14,16H,4-5,9H2,1-3H3,(H,15,17).
What are the key properties of N-[(2,6-diethylphenyl)-methoxymethyl]-2-hydroxyacetamide?
N-[(2,6-diethylphenyl)-methoxymethyl]-2-hydroxyacetamide has a molecular weight of 251.33 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-diethylphenyl)-methoxymethyl]-2-hydroxyacetamide is sourced from PubChem (CID 134822163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).