N-(3-acetamido-4-methylphenyl)-2-(2-propan-2-ylphenoxy)acetamide

C20H24N2O3 — CID 54777114

IUPACN-(3-acetamido-4-methylphenyl)-2-(2-propan-2-ylphenoxy)acetamide
SMILESCC(=O)Nc1cc(NC(=O)COc2ccccc2C(C)C)ccc1C
InChIInChI=1S/C20H24N2O3/c1-13(2)17-7-5-6-8-19(17)25-12-20(24)22-16-10-9-14(3)18(11-16)21-15(4)23/h5-11,13H,12H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyBSEJVICDEAXAKP-UHFFFAOYSA-N
MW340.42 g/mol
LogP4.09
Rot. Bonds6

About N-(3-acetamido-4-methylphenyl)-2-(2-propan-2-ylphenoxy)acetamide

N-(3-acetamido-4-methylphenyl)-2-(2-propan-2-ylphenoxy)acetamide (PubChem CID 54777114) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-(3-acetamido-4-methylphenyl)-2-(2-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3-acetamido-4-methylphenyl)-2-(2-propan-2-ylphenoxy)acetamide
PubChem CID54777114
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-(3-acetamido-4-methylphenyl)-2-(2-propan-2-ylphenoxy)acetamide
SMILESCC(=O)Nc1cc(NC(=O)COc2ccccc2C(C)C)ccc1C
InChIInChI=1S/C20H24N2O3/c1-13(2)17-7-5-6-8-19(17)25-12-20(24)22-16-10-9-14(3)18(11-16)21-15(4)23/h5-11,13H,12H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyBSEJVICDEAXAKP-UHFFFAOYSA-N
XLogP4.09
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetamido-4-methylphenyl)-2-naphthalen-2-yloxyacetamide
CID 54777087
N-[5-[[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]amino]-2-methylphenyl]propanamide
CID 46761161
[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate
CID 7903892
4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzoic acid
CID 19165036
N-(3-acetamido-4-methylphenyl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide
CID 54777100
N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]-4-methylphenyl]propanamide
CID 46487441
N-(3-methylsulfonylphenyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 9071755
N-[(4-acetamidophenyl)methyl]-2-(2-propan-2-ylphenoxy)acetamide
CID 18153975
N-(3-phenylmethoxyphenyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 17085964
N-(3-acetamido-4-methylphenyl)-2-(4-bromophenoxy)acetamide
CID 54777061
2-(2-acetamidophenoxy)-N-(5-fluoro-2-methylphenyl)acetamide
CID 2472167
N-[4-(methylsulfamoyl)phenyl]-2-(2-propan-2-ylphenoxy)acetamide
CID 9219528

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-4-methylphenyl)-2-(2-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-(3-acetamido-4-methylphenyl)-2-(2-propan-2-ylphenoxy)acetamide (CID 54777114) is N-(3-acetamido-4-methylphenyl)-2-(2-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-(3-acetamido-4-methylphenyl)-2-(2-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-(3-acetamido-4-methylphenyl)-2-(2-propan-2-ylphenoxy)acetamide is CC(=O)Nc1cc(NC(=O)COc2ccccc2C(C)C)ccc1C.
What is the InChIKey of N-(3-acetamido-4-methylphenyl)-2-(2-propan-2-ylphenoxy)acetamide?
The InChIKey is BSEJVICDEAXAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-13(2)17-7-5-6-8-19(17)25-12-20(24)22-16-10-9-14(3)18(11-16)21-15(4)23/h5-11,13H,12H2,1-4H3,(H,21,23)(H,22,24).
What are the key properties of N-(3-acetamido-4-methylphenyl)-2-(2-propan-2-ylphenoxy)acetamide?
N-(3-acetamido-4-methylphenyl)-2-(2-propan-2-ylphenoxy)acetamide has a molecular weight of 340.42 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-4-methylphenyl)-2-(2-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 54777114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).