2-(4-methylphenoxy)-N-[4-(N-propan-2-ylanilino)phenyl]acetamide

C24H26N2O2 — CID 3602002

IUPAC2-(4-methylphenoxy)-N-[4-(N-propan-2-ylanilino)phenyl]acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc(N(c3ccccc3)C(C)C)cc2)cc1
InChIInChI=1S/C24H26N2O2/c1-18(2)26(21-7-5-4-6-8-21)22-13-11-20(12-14-22)25-24(27)17-28-23-15-9-19(3)10-16-23/h4-16,18H,17H2,1-3H3,(H,25,27)
InChIKeyFJIAVQVGTKVSOR-UHFFFAOYSA-N
MW374.48 g/mol
LogP5.56
Rot. Bonds7

About 2-(4-methylphenoxy)-N-[4-(N-propan-2-ylanilino)phenyl]acetamide

2-(4-methylphenoxy)-N-[4-(N-propan-2-ylanilino)phenyl]acetamide (PubChem CID 3602002) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-[4-(N-propan-2-ylanilino)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-[4-(N-propan-2-ylanilino)phenyl]acetamide
PubChem CID3602002
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC Name2-(4-methylphenoxy)-N-[4-(N-propan-2-ylanilino)phenyl]acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc(N(c3ccccc3)C(C)C)cc2)cc1
InChIInChI=1S/C24H26N2O2/c1-18(2)26(21-7-5-4-6-8-21)22-13-11-20(12-14-22)25-24(27)17-28-23-15-9-19(3)10-16-23/h4-16,18H,17H2,1-3H3,(H,25,27)
InChIKeyFJIAVQVGTKVSOR-UHFFFAOYSA-N
XLogP5.56
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.48
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylphenoxy)-N-[4-(N-propan-2-ylanilino)phenyl]acetamide
CID 4231625
2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 681889
2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(4-methylphenyl)acetamide
CID 17247012
N-(4-benzoylphenyl)-2-(4-methylphenoxy)acetamide
CID 837401
2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(4-phenoxyphenyl)acetamide
CID 17247227
2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-phenylacetamide
CID 17247287
2-methoxy-N-[4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]acetamide
CID 35333453
2-[4-[2-(4-hydroxyanilino)-2-oxoethoxy]phenoxy]-N-(4-methylphenyl)acetamide
CID 71095079
2-[4-[(4-methylphenyl)methyl-methylsulfonylamino]phenoxy]-N-(4-propan-2-ylphenyl)acetamide
CID 30129351
[2-oxo-2-[4-(N-propan-2-ylanilino)anilino]ethyl] 4-acetamidobenzoate
CID 2344854
N-(4-phenoxyphenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 1320918
N-[4-(butan-2-ylamino)phenyl]-2-(4-methylphenoxy)acetamide
CID 112980491

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-N-[4-(N-propan-2-ylanilino)phenyl]acetamide?
The IUPAC name of 2-(4-methylphenoxy)-N-[4-(N-propan-2-ylanilino)phenyl]acetamide (CID 3602002) is 2-(4-methylphenoxy)-N-[4-(N-propan-2-ylanilino)phenyl]acetamide.
What is the SMILES notation for 2-(4-methylphenoxy)-N-[4-(N-propan-2-ylanilino)phenyl]acetamide?
The canonical SMILES for 2-(4-methylphenoxy)-N-[4-(N-propan-2-ylanilino)phenyl]acetamide is Cc1ccc(OCC(=O)Nc2ccc(N(c3ccccc3)C(C)C)cc2)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-N-[4-(N-propan-2-ylanilino)phenyl]acetamide?
The InChIKey is FJIAVQVGTKVSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2/c1-18(2)26(21-7-5-4-6-8-21)22-13-11-20(12-14-22)25-24(27)17-28-23-15-9-19(3)10-16-23/h4-16,18H,17H2,1-3H3,(H,25,27).
What are the key properties of 2-(4-methylphenoxy)-N-[4-(N-propan-2-ylanilino)phenyl]acetamide?
2-(4-methylphenoxy)-N-[4-(N-propan-2-ylanilino)phenyl]acetamide has a molecular weight of 374.48 g/mol, XLogP of 5.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-N-[4-(N-propan-2-ylanilino)phenyl]acetamide is sourced from PubChem (CID 3602002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).