N-(3-hydroxy-2-methylpropyl)-2-(2-methoxy-5-methylphenyl)acetamide

C14H21NO3 — CID 65037014

IUPACN-(3-hydroxy-2-methylpropyl)-2-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1CC(=O)NCC(C)CO
InChIInChI=1S/C14H21NO3/c1-10-4-5-13(18-3)12(6-10)7-14(17)15-8-11(2)9-16/h4-6,11,16H,7-9H2,1-3H3,(H,15,17)
InChIKeyRTAUIDXPVGSFCJ-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.29
Rot. Bonds6

About N-(3-hydroxy-2-methylpropyl)-2-(2-methoxy-5-methylphenyl)acetamide

N-(3-hydroxy-2-methylpropyl)-2-(2-methoxy-5-methylphenyl)acetamide (PubChem CID 65037014) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-(3-hydroxy-2-methylpropyl)-2-(2-methoxy-5-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(3-hydroxy-2-methylpropyl)-2-(2-methoxy-5-methylphenyl)acetamide
PubChem CID65037014
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC NameN-(3-hydroxy-2-methylpropyl)-2-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1CC(=O)NCC(C)CO
InChIInChI=1S/C14H21NO3/c1-10-4-5-13(18-3)12(6-10)7-14(17)15-8-11(2)9-16/h4-6,11,16H,7-9H2,1-3H3,(H,15,17)
InChIKeyRTAUIDXPVGSFCJ-UHFFFAOYSA-N
XLogP1.29
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-(3-hydroxy-2-methylpropyl)acetamide
CID 65036986
2-(2,4-dimethoxyphenyl)-N-(3-hydroxy-2-methylpropyl)acetamide
CID 65032208
2-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]acetic acid
CID 43241710
2-(2-methoxy-5-methylphenyl)-N-methylacetamide
CID 39969431
methyl 4-[[[2-(2-methoxy-5-methylphenyl)acetyl]amino]methyl]benzoate
CID 18106700
2-(2-methoxy-5-methylphenyl)-N-[(2-methylphenyl)methyl]acetamide
CID 9184395
2-(2-methoxy-5-methylphenyl)-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 39969472
3-hydroxy-N-[(2-methoxy-5-methylphenyl)methyl]propanamide
CID 115138980
5-bromo-N-(3-hydroxy-2-methylpropyl)-2-methoxybenzamide
CID 113278453
N-[(2-methoxy-5-methylphenyl)methyl]acetamide
CID 110779845
2-[(2-methoxy-5-methylphenyl)methylcarbamoylamino]propanoic acid
CID 60707492
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(2-methoxy-5-methylphenyl)acetamide
CID 114751337

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2-methylpropyl)-2-(2-methoxy-5-methylphenyl)acetamide?
The IUPAC name of N-(3-hydroxy-2-methylpropyl)-2-(2-methoxy-5-methylphenyl)acetamide (CID 65037014) is N-(3-hydroxy-2-methylpropyl)-2-(2-methoxy-5-methylphenyl)acetamide.
What is the SMILES notation for N-(3-hydroxy-2-methylpropyl)-2-(2-methoxy-5-methylphenyl)acetamide?
The canonical SMILES for N-(3-hydroxy-2-methylpropyl)-2-(2-methoxy-5-methylphenyl)acetamide is COc1ccc(C)cc1CC(=O)NCC(C)CO.
What is the InChIKey of N-(3-hydroxy-2-methylpropyl)-2-(2-methoxy-5-methylphenyl)acetamide?
The InChIKey is RTAUIDXPVGSFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-10-4-5-13(18-3)12(6-10)7-14(17)15-8-11(2)9-16/h4-6,11,16H,7-9H2,1-3H3,(H,15,17).
What are the key properties of N-(3-hydroxy-2-methylpropyl)-2-(2-methoxy-5-methylphenyl)acetamide?
N-(3-hydroxy-2-methylpropyl)-2-(2-methoxy-5-methylphenyl)acetamide has a molecular weight of 251.33 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2-methylpropyl)-2-(2-methoxy-5-methylphenyl)acetamide is sourced from PubChem (CID 65037014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).