N-methyl-3-[4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]phenyl]propanamide

C21H26N2O3 — CID 54780767

IUPACN-methyl-3-[4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]phenyl]propanamide
SMILESCNC(=O)CCc1ccc(NC(=O)COc2ccccc2C(C)C)cc1
InChIInChI=1S/C21H26N2O3/c1-15(2)18-6-4-5-7-19(18)26-14-21(25)23-17-11-8-16(9-12-17)10-13-20(24)22-3/h4-9,11-12,15H,10,13-14H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyVXHJJXTWAIBLKY-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.51
Rot. Bonds8

About N-methyl-3-[4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]phenyl]propanamide

N-methyl-3-[4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]phenyl]propanamide (PubChem CID 54780767) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-methyl-3-[4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]phenyl]propanamide.

Molecular Properties

Compound NameN-methyl-3-[4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]phenyl]propanamide
PubChem CID54780767
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-methyl-3-[4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]phenyl]propanamide
SMILESCNC(=O)CCc1ccc(NC(=O)COc2ccccc2C(C)C)cc1
InChIInChI=1S/C21H26N2O3/c1-15(2)18-6-4-5-7-19(18)26-14-21(25)23-17-11-8-16(9-12-17)10-13-20(24)22-3/h4-9,11-12,15H,10,13-14H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyVXHJJXTWAIBLKY-UHFFFAOYSA-N
XLogP3.51
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzoic acid
CID 19165036
N-[(4-acetamidophenyl)methyl]-2-(2-propan-2-ylphenoxy)acetamide
CID 18153975
N-[4-(methylsulfamoyl)phenyl]-2-(2-propan-2-ylphenoxy)acetamide
CID 9219528
3-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-N-methylpropanamide
CID 54780793
N-(1-phenylethyl)-4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzamide
CID 43887467
N-[4-[3-(methylamino)-3-oxopropyl]phenyl]-2-(2-methylphenoxy)propanamide
CID 54780693
N-(3-acetamido-4-methylphenyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 54777114
[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate
CID 7903892
3-[4-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]phenyl]-N-methylpropanamide
CID 54780608
1-N',5-N'-bis[2-(2-propan-2-ylphenoxy)acetyl]pentanedihydrazide
CID 3554714
N-propan-2-yl-2-(2-propan-2-ylphenoxy)acetamide
CID 19168088
2-(2-chlorophenoxy)-N-[4-[3-(methylamino)-3-oxopropyl]phenyl]propanamide
CID 54780661

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]phenyl]propanamide?
The IUPAC name of N-methyl-3-[4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]phenyl]propanamide (CID 54780767) is N-methyl-3-[4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]phenyl]propanamide.
What is the SMILES notation for N-methyl-3-[4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]phenyl]propanamide?
The canonical SMILES for N-methyl-3-[4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]phenyl]propanamide is CNC(=O)CCc1ccc(NC(=O)COc2ccccc2C(C)C)cc1.
What is the InChIKey of N-methyl-3-[4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]phenyl]propanamide?
The InChIKey is VXHJJXTWAIBLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-15(2)18-6-4-5-7-19(18)26-14-21(25)23-17-11-8-16(9-12-17)10-13-20(24)22-3/h4-9,11-12,15H,10,13-14H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N-methyl-3-[4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]phenyl]propanamide?
N-methyl-3-[4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]phenyl]propanamide has a molecular weight of 354.45 g/mol, XLogP of 3.51, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]phenyl]propanamide is sourced from PubChem (CID 54780767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).