N-(2-hydroxy-4-methylpentyl)-2-(2,4,6-trimethylphenoxy)acetamide

C17H27NO3 — CID 103770722

IUPACN-(2-hydroxy-4-methylpentyl)-2-(2,4,6-trimethylphenoxy)acetamide
SMILESCc1cc(C)c(OCC(=O)NCC(O)CC(C)C)c(C)c1
InChIInChI=1S/C17H27NO3/c1-11(2)6-15(19)9-18-16(20)10-21-17-13(4)7-12(3)8-14(17)5/h7-8,11,15,19H,6,9-10H2,1-5H3,(H,18,20)
InChIKeyLZNSFFRBVFMNKZ-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.51
Rot. Bonds7

About N-(2-hydroxy-4-methylpentyl)-2-(2,4,6-trimethylphenoxy)acetamide

N-(2-hydroxy-4-methylpentyl)-2-(2,4,6-trimethylphenoxy)acetamide (PubChem CID 103770722) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-(2-hydroxy-4-methylpentyl)-2-(2,4,6-trimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-methylpentyl)-2-(2,4,6-trimethylphenoxy)acetamide
PubChem CID103770722
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC NameN-(2-hydroxy-4-methylpentyl)-2-(2,4,6-trimethylphenoxy)acetamide
SMILESCc1cc(C)c(OCC(=O)NCC(O)CC(C)C)c(C)c1
InChIInChI=1S/C17H27NO3/c1-11(2)6-15(19)9-18-16(20)10-21-17-13(4)7-12(3)8-14(17)5/h7-8,11,15,19H,6,9-10H2,1-5H3,(H,18,20)
InChIKeyLZNSFFRBVFMNKZ-UHFFFAOYSA-N
XLogP2.51
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydroxypropyl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 66177734
N-[2-(methylamino)propyl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 120828911
(2S)-2-hydroxy-3-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]propanoic acid
CID 107832946
2-(2-chloro-5-methylphenoxy)-N-(2-hydroxy-4-methylpentyl)acetamide
CID 103771426
N-(2-hydroxy-4-methylpentyl)-2-(2-methoxyphenoxy)acetamide
CID 103770844
2-hydroxy-4-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]butanoic acid
CID 107831855
N-(2-hydroxy-4-methylpentyl)-2-(4-methoxyphenoxy)acetamide
CID 103771418
2-(4-bromophenoxy)-N-(2-hydroxy-4-methylpentyl)acetamide
CID 103771067
N-(2-hydroxy-4-methylpentyl)-2-(2-hydroxyphenoxy)acetamide
CID 103822650
2-(2,5-dichlorophenoxy)-N-(2-hydroxy-4-methylpentyl)acetamide
CID 103771579
3-(2,4-dimethylphenoxy)-N-(2-hydroxy-4-methylpentyl)propanamide
CID 103771125
3-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]propanoic acid
CID 43092392

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-methylpentyl)-2-(2,4,6-trimethylphenoxy)acetamide?
The IUPAC name of N-(2-hydroxy-4-methylpentyl)-2-(2,4,6-trimethylphenoxy)acetamide (CID 103770722) is N-(2-hydroxy-4-methylpentyl)-2-(2,4,6-trimethylphenoxy)acetamide.
What is the SMILES notation for N-(2-hydroxy-4-methylpentyl)-2-(2,4,6-trimethylphenoxy)acetamide?
The canonical SMILES for N-(2-hydroxy-4-methylpentyl)-2-(2,4,6-trimethylphenoxy)acetamide is Cc1cc(C)c(OCC(=O)NCC(O)CC(C)C)c(C)c1.
What is the InChIKey of N-(2-hydroxy-4-methylpentyl)-2-(2,4,6-trimethylphenoxy)acetamide?
The InChIKey is LZNSFFRBVFMNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-11(2)6-15(19)9-18-16(20)10-21-17-13(4)7-12(3)8-14(17)5/h7-8,11,15,19H,6,9-10H2,1-5H3,(H,18,20).
What are the key properties of N-(2-hydroxy-4-methylpentyl)-2-(2,4,6-trimethylphenoxy)acetamide?
N-(2-hydroxy-4-methylpentyl)-2-(2,4,6-trimethylphenoxy)acetamide has a molecular weight of 293.41 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-methylpentyl)-2-(2,4,6-trimethylphenoxy)acetamide is sourced from PubChem (CID 103770722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).