N-(2,3-dihydroxypropyl)-2-(2,4,6-trimethylphenoxy)acetamide

C14H21NO4 — CID 66177734

IUPACN-(2,3-dihydroxypropyl)-2-(2,4,6-trimethylphenoxy)acetamide
SMILESCc1cc(C)c(OCC(=O)NCC(O)CO)c(C)c1
InChIInChI=1S/C14H21NO4/c1-9-4-10(2)14(11(3)5-9)19-8-13(18)15-6-12(17)7-16/h4-5,12,16-17H,6-8H2,1-3H3,(H,15,18)
InChIKeyLYOYSMKFBRJKGW-UHFFFAOYSA-N
MW267.32 g/mol
LogP0.46
Rot. Bonds6

About N-(2,3-dihydroxypropyl)-2-(2,4,6-trimethylphenoxy)acetamide

N-(2,3-dihydroxypropyl)-2-(2,4,6-trimethylphenoxy)acetamide (PubChem CID 66177734) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is N-(2,3-dihydroxypropyl)-2-(2,4,6-trimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2,3-dihydroxypropyl)-2-(2,4,6-trimethylphenoxy)acetamide
PubChem CID66177734
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC NameN-(2,3-dihydroxypropyl)-2-(2,4,6-trimethylphenoxy)acetamide
SMILESCc1cc(C)c(OCC(=O)NCC(O)CO)c(C)c1
InChIInChI=1S/C14H21NO4/c1-9-4-10(2)14(11(3)5-9)19-8-13(18)15-6-12(17)7-16/h4-5,12,16-17H,6-8H2,1-3H3,(H,15,18)
InChIKeyLYOYSMKFBRJKGW-UHFFFAOYSA-N
XLogP0.46
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-4-methylpentyl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 103770722
(2S)-2-hydroxy-3-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]propanoic acid
CID 107832946
N-[2-(methylamino)propyl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 120828911
N-(2,3-dihydroxypropyl)-2-(3-methylphenoxy)acetamide
CID 66177924
2-hydroxy-4-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]butanoic acid
CID 107831855
3-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]propanoic acid
CID 43092392
N-(2-amino-2-methylpropyl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 119628968
N-(2,3-dihydroxypropyl)-2-(2,4,5-trichlorophenoxy)acetamide
CID 66176024
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 19114412
2-[2-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]ethylsulfanyl]acetic acid
CID 119241879
N-(1-hydroxy-2-methylpropan-2-yl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 43390532
2-(4-chlorophenoxy)-N-(2,3-dihydroxypropyl)acetamide
CID 66177064

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxypropyl)-2-(2,4,6-trimethylphenoxy)acetamide?
The IUPAC name of N-(2,3-dihydroxypropyl)-2-(2,4,6-trimethylphenoxy)acetamide (CID 66177734) is N-(2,3-dihydroxypropyl)-2-(2,4,6-trimethylphenoxy)acetamide.
What is the SMILES notation for N-(2,3-dihydroxypropyl)-2-(2,4,6-trimethylphenoxy)acetamide?
The canonical SMILES for N-(2,3-dihydroxypropyl)-2-(2,4,6-trimethylphenoxy)acetamide is Cc1cc(C)c(OCC(=O)NCC(O)CO)c(C)c1.
What is the InChIKey of N-(2,3-dihydroxypropyl)-2-(2,4,6-trimethylphenoxy)acetamide?
The InChIKey is LYOYSMKFBRJKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-9-4-10(2)14(11(3)5-9)19-8-13(18)15-6-12(17)7-16/h4-5,12,16-17H,6-8H2,1-3H3,(H,15,18).
What are the key properties of N-(2,3-dihydroxypropyl)-2-(2,4,6-trimethylphenoxy)acetamide?
N-(2,3-dihydroxypropyl)-2-(2,4,6-trimethylphenoxy)acetamide has a molecular weight of 267.32 g/mol, XLogP of 0.46, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxypropyl)-2-(2,4,6-trimethylphenoxy)acetamide is sourced from PubChem (CID 66177734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).