3-(2,6-dimethylphenoxy)-N-(4-hydroxybutan-2-yl)propanamide

C15H23NO3 — CID 115283597

IUPAC3-(2,6-dimethylphenoxy)-N-(4-hydroxybutan-2-yl)propanamide
SMILESCc1cccc(C)c1OCCC(=O)NC(C)CCO
InChIInChI=1S/C15H23NO3/c1-11-5-4-6-12(2)15(11)19-10-8-14(18)16-13(3)7-9-17/h4-6,13,17H,7-10H2,1-3H3,(H,16,18)
InChIKeyWEVQIVWGLYYHKV-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.96
Rot. Bonds7

About 3-(2,6-dimethylphenoxy)-N-(4-hydroxybutan-2-yl)propanamide

3-(2,6-dimethylphenoxy)-N-(4-hydroxybutan-2-yl)propanamide (PubChem CID 115283597) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 3-(2,6-dimethylphenoxy)-N-(4-hydroxybutan-2-yl)propanamide.

Molecular Properties

Compound Name3-(2,6-dimethylphenoxy)-N-(4-hydroxybutan-2-yl)propanamide
PubChem CID115283597
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name3-(2,6-dimethylphenoxy)-N-(4-hydroxybutan-2-yl)propanamide
SMILESCc1cccc(C)c1OCCC(=O)NC(C)CCO
InChIInChI=1S/C15H23NO3/c1-11-5-4-6-12(2)15(11)19-10-8-14(18)16-13(3)7-9-17/h4-6,13,17H,7-10H2,1-3H3,(H,16,18)
InChIKeyWEVQIVWGLYYHKV-UHFFFAOYSA-N
XLogP1.96
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[3-(2,6-dimethylphenoxy)propanoylamino]-4-hydroxybutanoic acid
CID 107823695
N-(4-hydroxybutan-2-yl)-3-phenoxypropanamide
CID 81042132
(2S)-2-[3-(2,6-dimethylphenoxy)propanoylamino]-3-methylbutanoic acid
CID 61136603
3-(2,6-dimethylphenoxy)-N-(4-hydroxybutyl)propanamide
CID 106843337
2-[3-(2,6-dimethylphenoxy)propanoylamino]-3-methoxypropanoic acid
CID 81084522
3-[bis(2-hydroxyethyl)amino]-N-[(2R)-1-(2,6-dimethylphenoxy)propan-2-yl]propanamide
CID 102200968
3-[2-(2-aminopropyl)-6-methylphenoxy]-N-propan-2-ylpropanamide
CID 115958129
N-[(2R)-1-hydroxypropan-2-yl]-3-(2-methylphenoxy)propanamide
CID 79027770
3-(2,6-dimethylphenoxy)-N-(4-hydroxy-2-methylbutan-2-yl)propanamide
CID 115969023
3-(2,6-dimethylphenoxy)-N-(3-hydroxy-4-methoxybutyl)propanamide
CID 103877668
3-[3-(2-methylphenoxy)propanoylamino]butanoic acid
CID 43240704
N-[1-(2,6-dimethylphenoxy)propan-2-yl]-2-(methylamino)acetamide;hydrochloride
CID 119745978

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylphenoxy)-N-(4-hydroxybutan-2-yl)propanamide?
The IUPAC name of 3-(2,6-dimethylphenoxy)-N-(4-hydroxybutan-2-yl)propanamide (CID 115283597) is 3-(2,6-dimethylphenoxy)-N-(4-hydroxybutan-2-yl)propanamide.
What is the SMILES notation for 3-(2,6-dimethylphenoxy)-N-(4-hydroxybutan-2-yl)propanamide?
The canonical SMILES for 3-(2,6-dimethylphenoxy)-N-(4-hydroxybutan-2-yl)propanamide is Cc1cccc(C)c1OCCC(=O)NC(C)CCO.
What is the InChIKey of 3-(2,6-dimethylphenoxy)-N-(4-hydroxybutan-2-yl)propanamide?
The InChIKey is WEVQIVWGLYYHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-11-5-4-6-12(2)15(11)19-10-8-14(18)16-13(3)7-9-17/h4-6,13,17H,7-10H2,1-3H3,(H,16,18).
What are the key properties of 3-(2,6-dimethylphenoxy)-N-(4-hydroxybutan-2-yl)propanamide?
3-(2,6-dimethylphenoxy)-N-(4-hydroxybutan-2-yl)propanamide has a molecular weight of 265.35 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylphenoxy)-N-(4-hydroxybutan-2-yl)propanamide is sourced from PubChem (CID 115283597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).