3-[4-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenyl]-N,N-dimethylpropanamide

C21H26N2O3 — CID 46760396

IUPAC3-[4-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenyl]-N,N-dimethylpropanamide
SMILESCc1ccc(OCC(=O)Nc2ccc(CCC(=O)N(C)C)cc2)cc1C
InChIInChI=1S/C21H26N2O3/c1-15-5-11-19(13-16(15)2)26-14-20(24)22-18-9-6-17(7-10-18)8-12-21(25)23(3)4/h5-7,9-11,13H,8,12,14H2,1-4H3,(H,22,24)
InChIKeyAUYZGHQXVYYAEP-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.34
Rot. Bonds7

About 3-[4-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenyl]-N,N-dimethylpropanamide

3-[4-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenyl]-N,N-dimethylpropanamide (PubChem CID 46760396) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 3-[4-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenyl]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[4-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenyl]-N,N-dimethylpropanamide
PubChem CID46760396
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name3-[4-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenyl]-N,N-dimethylpropanamide
SMILESCc1ccc(OCC(=O)Nc2ccc(CCC(=O)N(C)C)cc2)cc1C
InChIInChI=1S/C21H26N2O3/c1-15-5-11-19(13-16(15)2)26-14-20(24)22-18-9-6-17(7-10-18)8-12-21(25)23(3)4/h5-7,9-11,13H,8,12,14H2,1-4H3,(H,22,24)
InChIKeyAUYZGHQXVYYAEP-UHFFFAOYSA-N
XLogP3.34
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]phenyl]-N,N-dimethylpropanamide
CID 43912106
3-[4-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]phenyl]-N,N-dimethylpropanamide
CID 46760362
2-[4-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenoxy]acetate
CID 7316235
2-(3,4-dimethylphenoxy)-N-(4-methylsulfanylphenyl)acetamide
CID 9153670
2-(3,4-dimethylphenoxy)-N-(4-phenylmethoxyphenyl)acetamide
CID 4947508
2-(3,4-dimethylphenoxy)-N-(4-nitrophenyl)acetamide
CID 4930992
3-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54844057
2-cyano-N-[4-[[[2-(3,4-dimethylphenoxy)acetyl]amino]methyl]phenyl]acetamide
CID 108923167
2-(3,4-dimethylphenoxy)-N-(4-phenylsulfanylphenyl)acetamide
CID 1121779
N-(4-butan-2-yloxyphenyl)-2-(3,4-dimethylphenoxy)acetamide
CID 17160586
4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-phenylbenzamide
CID 17359274
N-(3,5-dichlorophenyl)-2-(3,4-dimethylphenoxy)acetamide
CID 879851

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenyl]-N,N-dimethylpropanamide?
The IUPAC name of 3-[4-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenyl]-N,N-dimethylpropanamide (CID 46760396) is 3-[4-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenyl]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[4-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenyl]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[4-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenyl]-N,N-dimethylpropanamide is Cc1ccc(OCC(=O)Nc2ccc(CCC(=O)N(C)C)cc2)cc1C.
What is the InChIKey of 3-[4-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenyl]-N,N-dimethylpropanamide?
The InChIKey is AUYZGHQXVYYAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-15-5-11-19(13-16(15)2)26-14-20(24)22-18-9-6-17(7-10-18)8-12-21(25)23(3)4/h5-7,9-11,13H,8,12,14H2,1-4H3,(H,22,24).
What are the key properties of 3-[4-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenyl]-N,N-dimethylpropanamide?
3-[4-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenyl]-N,N-dimethylpropanamide has a molecular weight of 354.45 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenyl]-N,N-dimethylpropanamide is sourced from PubChem (CID 46760396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).