N-(2-hydroxy-4-methylpentyl)-2-(2-propan-2-ylphenoxy)acetamide

C17H27NO3 — CID 103771540

IUPACN-(2-hydroxy-4-methylpentyl)-2-(2-propan-2-ylphenoxy)acetamide
SMILESCC(C)CC(O)CNC(=O)COc1ccccc1C(C)C
InChIInChI=1S/C17H27NO3/c1-12(2)9-14(19)10-18-17(20)11-21-16-8-6-5-7-15(16)13(3)4/h5-8,12-14,19H,9-11H2,1-4H3,(H,18,20)
InChIKeyKSDDGKVVWKMHIE-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.71
Rot. Bonds8

About N-(2-hydroxy-4-methylpentyl)-2-(2-propan-2-ylphenoxy)acetamide

N-(2-hydroxy-4-methylpentyl)-2-(2-propan-2-ylphenoxy)acetamide (PubChem CID 103771540) 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-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-methylpentyl)-2-(2-propan-2-ylphenoxy)acetamide
PubChem CID103771540
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC NameN-(2-hydroxy-4-methylpentyl)-2-(2-propan-2-ylphenoxy)acetamide
SMILESCC(C)CC(O)CNC(=O)COc1ccccc1C(C)C
InChIInChI=1S/C17H27NO3/c1-12(2)9-14(19)10-18-17(20)11-21-16-8-6-5-7-15(16)13(3)4/h5-8,12-14,19H,9-11H2,1-4H3,(H,18,20)
InChIKeyKSDDGKVVWKMHIE-UHFFFAOYSA-N
XLogP2.71
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-4-methylpentyl)-2-(2-hydroxyphenoxy)acetamide
CID 103822650
N-(2-hydroxy-4-methylpentyl)-2-(2-methoxyphenoxy)acetamide
CID 103770844
2-(2-aminophenoxy)-N-(2-hydroxy-4-methylpentyl)acetamide
CID 107150626
2-[2-[(2-hydroxy-4-methylpentyl)amino]-2-oxoethoxy]benzamide
CID 107155288
N-(2-hydroxy-4-methylpentyl)-2-(2-nitrophenoxy)acetamide
CID 103771047
2-(2-propan-2-ylphenoxy)-N-[8-[[2-(2-propan-2-ylphenoxy)acetyl]amino]octyl]acetamide
CID 17233327
2-[2-[(1R)-1-hydroxypropyl]phenoxy]-N-(2-methylpropyl)acetamide
CID 78930255
2-[2-[(1S)-1-hydroxypropyl]phenoxy]-N-(2-methylpropyl)acetamide
CID 55190392
N-propan-2-yl-2-(2-propan-2-ylphenoxy)acetamide
CID 19168088
N-(2-chloroprop-2-enyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 113238561
2-hydroxy-4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]butanoic acid
CID 107832254
2-(2,5-dichlorophenoxy)-N-(2-hydroxy-4-methylpentyl)acetamide
CID 103771579

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-methylpentyl)-2-(2-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-(2-hydroxy-4-methylpentyl)-2-(2-propan-2-ylphenoxy)acetamide (CID 103771540) is N-(2-hydroxy-4-methylpentyl)-2-(2-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-(2-hydroxy-4-methylpentyl)-2-(2-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-(2-hydroxy-4-methylpentyl)-2-(2-propan-2-ylphenoxy)acetamide is CC(C)CC(O)CNC(=O)COc1ccccc1C(C)C.
What is the InChIKey of N-(2-hydroxy-4-methylpentyl)-2-(2-propan-2-ylphenoxy)acetamide?
The InChIKey is KSDDGKVVWKMHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-12(2)9-14(19)10-18-17(20)11-21-16-8-6-5-7-15(16)13(3)4/h5-8,12-14,19H,9-11H2,1-4H3,(H,18,20).
What are the key properties of N-(2-hydroxy-4-methylpentyl)-2-(2-propan-2-ylphenoxy)acetamide?
N-(2-hydroxy-4-methylpentyl)-2-(2-propan-2-ylphenoxy)acetamide has a molecular weight of 293.41 g/mol, XLogP of 2.71, 8 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-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 103771540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).