3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-N,N-dipropylbenzamide

C23H30N2O3 — CID 26162321

IUPAC3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1cccc(NC(=O)COc2cc(C)ccc2C)c1
InChIInChI=1S/C23H30N2O3/c1-5-12-25(13-6-2)23(27)19-8-7-9-20(15-19)24-22(26)16-28-21-14-17(3)10-11-18(21)4/h7-11,14-15H,5-6,12-13,16H2,1-4H3,(H,24,26)
InChIKeyBRZDMRGYJSQLMD-UHFFFAOYSA-N
MW382.50 g/mol
LogP4.58
Rot. Bonds9

About 3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-N,N-dipropylbenzamide

3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-N,N-dipropylbenzamide (PubChem CID 26162321) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is 3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-N,N-dipropylbenzamide.

Molecular Properties

Compound Name3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-N,N-dipropylbenzamide
PubChem CID26162321
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1cccc(NC(=O)COc2cc(C)ccc2C)c1
InChIInChI=1S/C23H30N2O3/c1-5-12-25(13-6-2)23(27)19-8-7-9-20(15-19)24-22(26)16-28-21-14-17(3)10-11-18(21)4/h7-11,14-15H,5-6,12-13,16H2,1-4H3,(H,24,26)
InChIKeyBRZDMRGYJSQLMD-UHFFFAOYSA-N
XLogP4.58
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N,N-dipropylbenzamide
CID 26162275
propyl 3-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzoate
CID 19167371
3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 26164583
3-[(2-phenoxyacetyl)amino]-N,N-dipropylbenzamide
CID 26162248
N-[3-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]propanamide
CID 17188255
3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 17218964
N-(3-bromophenyl)-2-(2,5-dimethylphenoxy)acetamide
CID 17252160
3-[[2-(2,3-dimethylphenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 31288850
N-cyclopropyl-3-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzamide
CID 24581450
3-[[2-(methylamino)acetyl]amino]-N,N-dipropylbenzamide
CID 54820981
N-butyl-3-[[2-(2,4-dimethylphenoxy)acetyl]amino]benzamide
CID 17196875
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2-(2,5-dimethylphenoxy)acetamide
CID 38810050

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-N,N-dipropylbenzamide?
The IUPAC name of 3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-N,N-dipropylbenzamide (CID 26162321) is 3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-N,N-dipropylbenzamide.
What is the SMILES notation for 3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-N,N-dipropylbenzamide?
The canonical SMILES for 3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-N,N-dipropylbenzamide is CCCN(CCC)C(=O)c1cccc(NC(=O)COc2cc(C)ccc2C)c1.
What is the InChIKey of 3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-N,N-dipropylbenzamide?
The InChIKey is BRZDMRGYJSQLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-5-12-25(13-6-2)23(27)19-8-7-9-20(15-19)24-22(26)16-28-21-14-17(3)10-11-18(21)4/h7-11,14-15H,5-6,12-13,16H2,1-4H3,(H,24,26).
What are the key properties of 3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-N,N-dipropylbenzamide?
3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-N,N-dipropylbenzamide has a molecular weight of 382.50 g/mol, XLogP of 4.58, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-N,N-dipropylbenzamide is sourced from PubChem (CID 26162321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).