N-cyclopropyl-2-[2-(hydroxymethyl)-4-methylphenoxy]acetamide

C13H17NO3 — CID 63325684

IUPACN-cyclopropyl-2-[2-(hydroxymethyl)-4-methylphenoxy]acetamide
SMILESCc1ccc(OCC(=O)NC2CC2)c(CO)c1
InChIInChI=1S/C13H17NO3/c1-9-2-5-12(10(6-9)7-15)17-8-13(16)14-11-3-4-11/h2,5-6,11,15H,3-4,7-8H2,1H3,(H,14,16)
InChIKeyBFILLXSRQVOYNI-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.14
Rot. Bonds5

About N-cyclopropyl-2-[2-(hydroxymethyl)-4-methylphenoxy]acetamide

N-cyclopropyl-2-[2-(hydroxymethyl)-4-methylphenoxy]acetamide (PubChem CID 63325684) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is N-cyclopropyl-2-[2-(hydroxymethyl)-4-methylphenoxy]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[2-(hydroxymethyl)-4-methylphenoxy]acetamide
PubChem CID63325684
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC NameN-cyclopropyl-2-[2-(hydroxymethyl)-4-methylphenoxy]acetamide
SMILESCc1ccc(OCC(=O)NC2CC2)c(CO)c1
InChIInChI=1S/C13H17NO3/c1-9-2-5-12(10(6-9)7-15)17-8-13(16)14-11-3-4-11/h2,5-6,11,15H,3-4,7-8H2,1H3,(H,14,16)
InChIKeyBFILLXSRQVOYNI-UHFFFAOYSA-N
XLogP1.14
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(hydroxymethyl)-4-methylphenoxy]-N-(oxan-4-yl)acetamide
CID 63325624
2-[2-(2-aminopropyl)-4-methylphenoxy]-N-cyclopropylacetamide
CID 63326335
2-[2-[(tert-butylamino)methyl]-4-methylphenoxy]-N-cyclopropylacetamide
CID 63326986
N-cyclopropyl-2-(2,5-dimethylphenoxy)acetamide
CID 4113350
2-[2-(2-aminoethyl)-4-methylphenoxy]-N-cyclohexylacetamide
CID 63325796
2-[2-(2-aminopropyl)-4-methylphenoxy]-N-cyclopentylacetamide
CID 63326156
N-(4-aminocyclohexyl)-2-(2,4-dimethylphenoxy)acetamide
CID 119477487
N-cyclopentyl-2-(2-formyl-4-methylphenoxy)acetamide
CID 63324573
2-[2-(hydroxymethyl)-4-methylphenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 55206471
N-cyclopropyl-2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]acetamide
CID 63639605
N-cyclopentyl-2-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]acetamide
CID 63366475
N-cyclopropyl-2-[[2-(2-methoxy-4-methylphenoxy)acetyl]amino]acetamide
CID 18163671

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[2-(hydroxymethyl)-4-methylphenoxy]acetamide?
The IUPAC name of N-cyclopropyl-2-[2-(hydroxymethyl)-4-methylphenoxy]acetamide (CID 63325684) is N-cyclopropyl-2-[2-(hydroxymethyl)-4-methylphenoxy]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[2-(hydroxymethyl)-4-methylphenoxy]acetamide?
The canonical SMILES for N-cyclopropyl-2-[2-(hydroxymethyl)-4-methylphenoxy]acetamide is Cc1ccc(OCC(=O)NC2CC2)c(CO)c1.
What is the InChIKey of N-cyclopropyl-2-[2-(hydroxymethyl)-4-methylphenoxy]acetamide?
The InChIKey is BFILLXSRQVOYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-9-2-5-12(10(6-9)7-15)17-8-13(16)14-11-3-4-11/h2,5-6,11,15H,3-4,7-8H2,1H3,(H,14,16).
What are the key properties of N-cyclopropyl-2-[2-(hydroxymethyl)-4-methylphenoxy]acetamide?
N-cyclopropyl-2-[2-(hydroxymethyl)-4-methylphenoxy]acetamide has a molecular weight of 235.28 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[2-(hydroxymethyl)-4-methylphenoxy]acetamide is sourced from PubChem (CID 63325684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).