3-(2,6-dimethylphenoxy)-N-ethyl-N-(3-hydroxypropyl)propanamide

C16H25NO3 — CID 115772075

IUPAC3-(2,6-dimethylphenoxy)-N-ethyl-N-(3-hydroxypropyl)propanamide
SMILESCCN(CCCO)C(=O)CCOc1c(C)cccc1C
InChIInChI=1S/C16H25NO3/c1-4-17(10-6-11-18)15(19)9-12-20-16-13(2)7-5-8-14(16)3/h5,7-8,18H,4,6,9-12H2,1-3H3
InChIKeyUTIQWZUSBJJMHL-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.30
Rot. Bonds8

About 3-(2,6-dimethylphenoxy)-N-ethyl-N-(3-hydroxypropyl)propanamide

3-(2,6-dimethylphenoxy)-N-ethyl-N-(3-hydroxypropyl)propanamide (PubChem CID 115772075) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 3-(2,6-dimethylphenoxy)-N-ethyl-N-(3-hydroxypropyl)propanamide.

Molecular Properties

Compound Name3-(2,6-dimethylphenoxy)-N-ethyl-N-(3-hydroxypropyl)propanamide
PubChem CID115772075
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name3-(2,6-dimethylphenoxy)-N-ethyl-N-(3-hydroxypropyl)propanamide
SMILESCCN(CCCO)C(=O)CCOc1c(C)cccc1C
InChIInChI=1S/C16H25NO3/c1-4-17(10-6-11-18)15(19)9-12-20-16-13(2)7-5-8-14(16)3/h5,7-8,18H,4,6,9-12H2,1-3H3
InChIKeyUTIQWZUSBJJMHL-UHFFFAOYSA-N
XLogP2.30
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,3-dimethylphenoxy)-N-ethyl-N-(3-hydroxypropyl)propanamide
CID 115771469
3-(2,6-dimethylphenoxy)-N-methylpropanehydrazide
CID 116820445
6-(2,6-dimethylphenoxy)hexan-1-ol
CID 103801792
ethyl 3-(2,6-dimethylphenoxy)propanoate
CID 43173798
3-(2,6-dimethylphenoxy)-N-(4-hydroxybutyl)propanamide
CID 106843337
2-[3-(2,6-dimethylphenoxy)propyl-methylamino]ethanol
CID 111121773
N-ethyl-N-(3-hydroxypropyl)-4-phenylbutanamide
CID 115772082
3-(2-ethoxyphenyl)-N-ethyl-N-(3-hydroxypropyl)propanamide
CID 115771921
methyl 3-[3-(2,3-dimethylphenoxy)propanoyl-ethylamino]propanoate
CID 60521028
N-(3-bromopropyl)-N-ethyl-3-(2-methylphenyl)propanamide
CID 113469201
2-[3-(2,3-dimethylphenoxy)propanoyl-ethylamino]acetic acid
CID 61022363
propyl 3-(2,6-dimethylphenoxy)propanoate
CID 78862887

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylphenoxy)-N-ethyl-N-(3-hydroxypropyl)propanamide?
The IUPAC name of 3-(2,6-dimethylphenoxy)-N-ethyl-N-(3-hydroxypropyl)propanamide (CID 115772075) is 3-(2,6-dimethylphenoxy)-N-ethyl-N-(3-hydroxypropyl)propanamide.
What is the SMILES notation for 3-(2,6-dimethylphenoxy)-N-ethyl-N-(3-hydroxypropyl)propanamide?
The canonical SMILES for 3-(2,6-dimethylphenoxy)-N-ethyl-N-(3-hydroxypropyl)propanamide is CCN(CCCO)C(=O)CCOc1c(C)cccc1C.
What is the InChIKey of 3-(2,6-dimethylphenoxy)-N-ethyl-N-(3-hydroxypropyl)propanamide?
The InChIKey is UTIQWZUSBJJMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-4-17(10-6-11-18)15(19)9-12-20-16-13(2)7-5-8-14(16)3/h5,7-8,18H,4,6,9-12H2,1-3H3.
What are the key properties of 3-(2,6-dimethylphenoxy)-N-ethyl-N-(3-hydroxypropyl)propanamide?
3-(2,6-dimethylphenoxy)-N-ethyl-N-(3-hydroxypropyl)propanamide has a molecular weight of 279.38 g/mol, XLogP of 2.30, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylphenoxy)-N-ethyl-N-(3-hydroxypropyl)propanamide is sourced from PubChem (CID 115772075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).