N-[cyclopropyl-(4-methylphenyl)methyl]-2-(2-hydroxyphenoxy)acetamide

C19H21NO3 — CID 78832040

IUPACN-[cyclopropyl-(4-methylphenyl)methyl]-2-(2-hydroxyphenoxy)acetamide
SMILESCc1ccc(C(NC(=O)COc2ccccc2O)C2CC2)cc1
InChIInChI=1S/C19H21NO3/c1-13-6-8-14(9-7-13)19(15-10-11-15)20-18(22)12-23-17-5-3-2-4-16(17)21/h2-9,15,19,21H,10-12H2,1H3,(H,20,22)
InChIKeyISMKYENYQIGDGI-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.35
Rot. Bonds6

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

N-[cyclopropyl-(4-methylphenyl)methyl]-2-(2-hydroxyphenoxy)acetamide (PubChem CID 78832040) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-[cyclopropyl-(4-methylphenyl)methyl]-2-(2-hydroxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[cyclopropyl-(4-methylphenyl)methyl]-2-(2-hydroxyphenoxy)acetamide
PubChem CID78832040
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC NameN-[cyclopropyl-(4-methylphenyl)methyl]-2-(2-hydroxyphenoxy)acetamide
SMILESCc1ccc(C(NC(=O)COc2ccccc2O)C2CC2)cc1
InChIInChI=1S/C19H21NO3/c1-13-6-8-14(9-7-13)19(15-10-11-15)20-18(22)12-23-17-5-3-2-4-16(17)21/h2-9,15,19,21H,10-12H2,1H3,(H,20,22)
InChIKeyISMKYENYQIGDGI-UHFFFAOYSA-N
XLogP3.35
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[cyclopropyl-(4-methylphenyl)methyl]-2-phenoxyacetamide
CID 51296315
N-[cyclopropyl-(4-methylphenyl)methyl]-4-(2-ethoxyphenoxy)butanamide
CID 55478527
N-[cyclopropyl(phenyl)methyl]-2-[2-(hydroxymethyl)phenoxy]acetamide
CID 110891903
N-[(4-chlorophenyl)-cyclopropylmethyl]-2-(2-cyanophenoxy)acetamide
CID 51187215
N-[cyclopropyl-(4-methylphenyl)methyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 24582522
[2-[[(S)-cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] acetate
CID 30313916
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide
CID 46526058
2-(2-methylphenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 94012505
N-[4-[[cyclopropyl-(4-methylphenyl)methyl]amino]-4-oxobutan-2-yl]benzamide
CID 24625904
2-(4-chloro-2-methylphenoxy)-N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide
CID 55461093
2-(azepan-1-yl)-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide
CID 46526961
N-[cyclopropyl-(4-methoxyphenyl)methyl]-4-(4-methylphenoxy)butanamide
CID 42925489

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(4-methylphenyl)methyl]-2-(2-hydroxyphenoxy)acetamide?
The IUPAC name of N-[cyclopropyl-(4-methylphenyl)methyl]-2-(2-hydroxyphenoxy)acetamide (CID 78832040) is N-[cyclopropyl-(4-methylphenyl)methyl]-2-(2-hydroxyphenoxy)acetamide.
What is the SMILES notation for N-[cyclopropyl-(4-methylphenyl)methyl]-2-(2-hydroxyphenoxy)acetamide?
The canonical SMILES for N-[cyclopropyl-(4-methylphenyl)methyl]-2-(2-hydroxyphenoxy)acetamide is Cc1ccc(C(NC(=O)COc2ccccc2O)C2CC2)cc1.
What is the InChIKey of N-[cyclopropyl-(4-methylphenyl)methyl]-2-(2-hydroxyphenoxy)acetamide?
The InChIKey is ISMKYENYQIGDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-13-6-8-14(9-7-13)19(15-10-11-15)20-18(22)12-23-17-5-3-2-4-16(17)21/h2-9,15,19,21H,10-12H2,1H3,(H,20,22).
What are the key properties of N-[cyclopropyl-(4-methylphenyl)methyl]-2-(2-hydroxyphenoxy)acetamide?
N-[cyclopropyl-(4-methylphenyl)methyl]-2-(2-hydroxyphenoxy)acetamide has a molecular weight of 311.38 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(4-methylphenyl)methyl]-2-(2-hydroxyphenoxy)acetamide is sourced from PubChem (CID 78832040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).