N-[cyclopropyl(phenyl)methyl]-2-[2-(hydroxymethyl)phenoxy]acetamide

C19H21NO3 — CID 110891903

IUPACN-[cyclopropyl(phenyl)methyl]-2-[2-(hydroxymethyl)phenoxy]acetamide
SMILESO=C(COc1ccccc1CO)NC(c1ccccc1)C1CC1
InChIInChI=1S/C19H21NO3/c21-12-16-8-4-5-9-17(16)23-13-18(22)20-19(15-10-11-15)14-6-2-1-3-7-14/h1-9,15,19,21H,10-13H2,(H,20,22)
InChIKeyOUIBCCFPFXUUCO-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.83
Rot. Bonds7

About N-[cyclopropyl(phenyl)methyl]-2-[2-(hydroxymethyl)phenoxy]acetamide

N-[cyclopropyl(phenyl)methyl]-2-[2-(hydroxymethyl)phenoxy]acetamide (PubChem CID 110891903) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-[cyclopropyl(phenyl)methyl]-2-[2-(hydroxymethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[cyclopropyl(phenyl)methyl]-2-[2-(hydroxymethyl)phenoxy]acetamide
PubChem CID110891903
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC NameN-[cyclopropyl(phenyl)methyl]-2-[2-(hydroxymethyl)phenoxy]acetamide
SMILESO=C(COc1ccccc1CO)NC(c1ccccc1)C1CC1
InChIInChI=1S/C19H21NO3/c21-12-16-8-4-5-9-17(16)23-13-18(22)20-19(15-10-11-15)14-6-2-1-3-7-14/h1-9,15,19,21H,10-13H2,(H,20,22)
InChIKeyOUIBCCFPFXUUCO-UHFFFAOYSA-N
XLogP2.83
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[cyclopropyl-(4-methylphenyl)methyl]-2-(2-hydroxyphenoxy)acetamide
CID 78832040
[2-[[(S)-cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] acetate
CID 30313916
N-[(S)-cyclopropyl(phenyl)methyl]-2-[(2-phenoxyacetyl)amino]acetamide
CID 38217020
N-[cyclopropyl-(4-methylphenyl)methyl]-2-phenoxyacetamide
CID 51296315
2-[2-(hydroxymethyl)phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 60773074
N-[(4-chlorophenyl)-cyclopropylmethyl]-2-(2-cyanophenoxy)acetamide
CID 51187215
2-(3-cyanophenoxy)-N-[cyclopropyl(phenyl)methyl]acetamide
CID 75800081
N-[1-(4-chlorophenyl)ethyl]-2-[2-(hydroxymethyl)phenoxy]acetamide
CID 110891946
2-(4-aminophenyl)-N-[cyclopropyl(phenyl)methyl]acetamide
CID 43709659
N-[(R)-cyclopentyl(phenyl)methyl]-2-naphthalen-1-ylacetamide
CID 2203053
[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate
CID 55942285
2-[[cyclopropyl(phenyl)methyl]amino]oxyacetamide
CID 112672575

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl(phenyl)methyl]-2-[2-(hydroxymethyl)phenoxy]acetamide?
The IUPAC name of N-[cyclopropyl(phenyl)methyl]-2-[2-(hydroxymethyl)phenoxy]acetamide (CID 110891903) is N-[cyclopropyl(phenyl)methyl]-2-[2-(hydroxymethyl)phenoxy]acetamide.
What is the SMILES notation for N-[cyclopropyl(phenyl)methyl]-2-[2-(hydroxymethyl)phenoxy]acetamide?
The canonical SMILES for N-[cyclopropyl(phenyl)methyl]-2-[2-(hydroxymethyl)phenoxy]acetamide is O=C(COc1ccccc1CO)NC(c1ccccc1)C1CC1.
What is the InChIKey of N-[cyclopropyl(phenyl)methyl]-2-[2-(hydroxymethyl)phenoxy]acetamide?
The InChIKey is OUIBCCFPFXUUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c21-12-16-8-4-5-9-17(16)23-13-18(22)20-19(15-10-11-15)14-6-2-1-3-7-14/h1-9,15,19,21H,10-13H2,(H,20,22).
What are the key properties of N-[cyclopropyl(phenyl)methyl]-2-[2-(hydroxymethyl)phenoxy]acetamide?
N-[cyclopropyl(phenyl)methyl]-2-[2-(hydroxymethyl)phenoxy]acetamide has a molecular weight of 311.38 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl(phenyl)methyl]-2-[2-(hydroxymethyl)phenoxy]acetamide is sourced from PubChem (CID 110891903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).