N-[cyclopropyl-(4-methylphenyl)methyl]-2-phenoxyacetamide

C19H21NO2 — CID 51296315

IUPACN-[cyclopropyl-(4-methylphenyl)methyl]-2-phenoxyacetamide
SMILESCc1ccc(C(NC(=O)COc2ccccc2)C2CC2)cc1
InChIInChI=1S/C19H21NO2/c1-14-7-9-15(10-8-14)19(16-11-12-16)20-18(21)13-22-17-5-3-2-4-6-17/h2-10,16,19H,11-13H2,1H3,(H,20,21)
InChIKeyOFCSNUWFWRYOIF-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.64
Rot. Bonds6

About N-[cyclopropyl-(4-methylphenyl)methyl]-2-phenoxyacetamide

N-[cyclopropyl-(4-methylphenyl)methyl]-2-phenoxyacetamide (PubChem CID 51296315) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is N-[cyclopropyl-(4-methylphenyl)methyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[cyclopropyl-(4-methylphenyl)methyl]-2-phenoxyacetamide
PubChem CID51296315
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC NameN-[cyclopropyl-(4-methylphenyl)methyl]-2-phenoxyacetamide
SMILESCc1ccc(C(NC(=O)COc2ccccc2)C2CC2)cc1
InChIInChI=1S/C19H21NO2/c1-14-7-9-15(10-8-14)19(16-11-12-16)20-18(21)13-22-17-5-3-2-4-6-17/h2-10,16,19H,11-13H2,1H3,(H,20,21)
InChIKeyOFCSNUWFWRYOIF-UHFFFAOYSA-N
XLogP3.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyclopropyl-(4-methylphenyl)methyl]-2-(2-hydroxyphenoxy)acetamide
CID 78832040
N-[(S)-cyclopropyl(phenyl)methyl]-2-[(2-phenoxyacetyl)amino]acetamide
CID 38217020
2-(3-cyanophenoxy)-N-[cyclopropyl(phenyl)methyl]acetamide
CID 75800081
(3R)-3-(4-methylphenyl)-3-[(2-phenoxyacetyl)amino]propanoic acid
CID 9429721
N-[(1S)-1-(4-methylphenyl)propyl]-2-phenoxyacetamide
CID 27754182
[2-[[(S)-cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] acetate
CID 30313916
N-[cyclopropyl-(4-methoxyphenyl)methyl]-4-(4-methylphenoxy)butanamide
CID 42925489
N-[[4-(hydroxymethyl)phenyl]-(4-methylphenyl)methyl]-2-phenoxyacetamide
CID 66612389
N-[4-[[cyclopropyl-(4-methylphenyl)methyl]amino]-4-oxobutan-2-yl]benzamide
CID 24625904
N-[2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-2-oxoethyl]-4-ethoxybenzamide
CID 55478443
N-[cyclopropyl-(4-methylphenyl)methyl]-4-(2-ethoxyphenoxy)butanamide
CID 55478527
N-[cyclopropyl(phenyl)methyl]-2-[2-(hydroxymethyl)phenoxy]acetamide
CID 110891903

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(4-methylphenyl)methyl]-2-phenoxyacetamide?
The IUPAC name of N-[cyclopropyl-(4-methylphenyl)methyl]-2-phenoxyacetamide (CID 51296315) is N-[cyclopropyl-(4-methylphenyl)methyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[cyclopropyl-(4-methylphenyl)methyl]-2-phenoxyacetamide?
The canonical SMILES for N-[cyclopropyl-(4-methylphenyl)methyl]-2-phenoxyacetamide is Cc1ccc(C(NC(=O)COc2ccccc2)C2CC2)cc1.
What is the InChIKey of N-[cyclopropyl-(4-methylphenyl)methyl]-2-phenoxyacetamide?
The InChIKey is OFCSNUWFWRYOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-14-7-9-15(10-8-14)19(16-11-12-16)20-18(21)13-22-17-5-3-2-4-6-17/h2-10,16,19H,11-13H2,1H3,(H,20,21).
What are the key properties of N-[cyclopropyl-(4-methylphenyl)methyl]-2-phenoxyacetamide?
N-[cyclopropyl-(4-methylphenyl)methyl]-2-phenoxyacetamide has a molecular weight of 295.38 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(4-methylphenyl)methyl]-2-phenoxyacetamide is sourced from PubChem (CID 51296315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).