2-(3-methylphenoxy)-N-[4-(N-propan-2-ylanilino)phenyl]acetamide

C24H26N2O2 — CID 4231625

IUPAC2-(3-methylphenoxy)-N-[4-(N-propan-2-ylanilino)phenyl]acetamide
SMILESCc1cccc(OCC(=O)Nc2ccc(N(c3ccccc3)C(C)C)cc2)c1
InChIInChI=1S/C24H26N2O2/c1-18(2)26(21-9-5-4-6-10-21)22-14-12-20(13-15-22)25-24(27)17-28-23-11-7-8-19(3)16-23/h4-16,18H,17H2,1-3H3,(H,25,27)
InChIKeyBFFRZPUBOHWKLP-UHFFFAOYSA-N
MW374.48 g/mol
LogP5.56
Rot. Bonds7

About 2-(3-methylphenoxy)-N-[4-(N-propan-2-ylanilino)phenyl]acetamide

2-(3-methylphenoxy)-N-[4-(N-propan-2-ylanilino)phenyl]acetamide (PubChem CID 4231625) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-N-[4-(N-propan-2-ylanilino)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-methylphenoxy)-N-[4-(N-propan-2-ylanilino)phenyl]acetamide
PubChem CID4231625
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC Name2-(3-methylphenoxy)-N-[4-(N-propan-2-ylanilino)phenyl]acetamide
SMILESCc1cccc(OCC(=O)Nc2ccc(N(c3ccccc3)C(C)C)cc2)c1
InChIInChI=1S/C24H26N2O2/c1-18(2)26(21-9-5-4-6-10-21)22-14-12-20(13-15-22)25-24(27)17-28-23-11-7-8-19(3)16-23/h4-16,18H,17H2,1-3H3,(H,25,27)
InChIKeyBFFRZPUBOHWKLP-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-(4-methylphenoxy)-N-[4-(N-propan-2-ylanilino)phenyl]acetamide
CID 3602002
4-[[2-(3-methylphenoxy)acetyl]amino]-N-propan-2-ylbenzamide
CID 26157492
2-(3-methylphenoxy)-N-(3-methylphenyl)acetamide
CID 2787094
N-[4-(dimethylamino)phenyl]-2-[[2-(3-methylphenoxy)acetyl]amino]acetamide
CID 110673431
2-(3-methylphenoxy)-N-(4-sulfamoylphenyl)acetamide
CID 675979
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-(3-methylphenoxy)acetate
CID 8910812
2-(3-methylphenoxy)-N-(4-methylsulfanylphenyl)acetamide
CID 9153755
N-[4-(difluoromethylsulfanyl)phenyl]-2-(3-methylphenoxy)acetamide
CID 26499511
2-(3-methylphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 879297
N-(4-methylphenyl)-2-(3-phenoxyphenoxy)acetamide
CID 23904816
N-[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]-2-(3-methylphenoxy)acetamide
CID 4946376
[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 2-(3-methylphenoxy)acetate
CID 7853518

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-N-[4-(N-propan-2-ylanilino)phenyl]acetamide?
The IUPAC name of 2-(3-methylphenoxy)-N-[4-(N-propan-2-ylanilino)phenyl]acetamide (CID 4231625) is 2-(3-methylphenoxy)-N-[4-(N-propan-2-ylanilino)phenyl]acetamide.
What is the SMILES notation for 2-(3-methylphenoxy)-N-[4-(N-propan-2-ylanilino)phenyl]acetamide?
The canonical SMILES for 2-(3-methylphenoxy)-N-[4-(N-propan-2-ylanilino)phenyl]acetamide is Cc1cccc(OCC(=O)Nc2ccc(N(c3ccccc3)C(C)C)cc2)c1.
What is the InChIKey of 2-(3-methylphenoxy)-N-[4-(N-propan-2-ylanilino)phenyl]acetamide?
The InChIKey is BFFRZPUBOHWKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2/c1-18(2)26(21-9-5-4-6-10-21)22-14-12-20(13-15-22)25-24(27)17-28-23-11-7-8-19(3)16-23/h4-16,18H,17H2,1-3H3,(H,25,27).
What are the key properties of 2-(3-methylphenoxy)-N-[4-(N-propan-2-ylanilino)phenyl]acetamide?
2-(3-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-(3-methylphenoxy)-N-[4-(N-propan-2-ylanilino)phenyl]acetamide is sourced from PubChem (CID 4231625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).