4-[[2-(3-methylphenoxy)acetyl]amino]-N,N-dipropylbenzamide

C22H28N2O3 — CID 17196123

IUPAC4-[[2-(3-methylphenoxy)acetyl]amino]-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1ccc(NC(=O)COc2cccc(C)c2)cc1
InChIInChI=1S/C22H28N2O3/c1-4-13-24(14-5-2)22(26)18-9-11-19(12-10-18)23-21(25)16-27-20-8-6-7-17(3)15-20/h6-12,15H,4-5,13-14,16H2,1-3H3,(H,23,25)
InChIKeyJTPPDWZWHZOXMW-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.27
Rot. Bonds9

About 4-[[2-(3-methylphenoxy)acetyl]amino]-N,N-dipropylbenzamide

4-[[2-(3-methylphenoxy)acetyl]amino]-N,N-dipropylbenzamide (PubChem CID 17196123) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 4-[[2-(3-methylphenoxy)acetyl]amino]-N,N-dipropylbenzamide.

Molecular Properties

Compound Name4-[[2-(3-methylphenoxy)acetyl]amino]-N,N-dipropylbenzamide
PubChem CID17196123
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name4-[[2-(3-methylphenoxy)acetyl]amino]-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1ccc(NC(=O)COc2cccc(C)c2)cc1
InChIInChI=1S/C22H28N2O3/c1-4-13-24(14-5-2)22(26)18-9-11-19(12-10-18)23-21(25)16-27-20-8-6-7-17(3)15-20/h6-12,15H,4-5,13-14,16H2,1-3H3,(H,23,25)
InChIKeyJTPPDWZWHZOXMW-UHFFFAOYSA-N
XLogP4.27
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(4-bromo-3-methylphenoxy)acetyl]amino]-N,N-dipropylbenzamide
CID 17196145
3-[(2-phenoxyacetyl)amino]-N,N-dipropylbenzamide
CID 26162248
4-[[2-(3-methylphenoxy)acetyl]amino]-N-propan-2-ylbenzamide
CID 26157492
2-(3-methylphenoxy)-N-(3-methylphenyl)acetamide
CID 2787094
4-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]amino]-N,N-dipropylbenzamide
CID 17196160
N,N-diethyl-4-[[2-(4-methylphenoxy)acetyl]amino]benzamide
CID 7817272
N-[4-(dimethylamino)phenyl]-2-[[2-(3-methylphenoxy)acetyl]amino]acetamide
CID 110673431
2-(3-methylphenoxy)-N-(4-methylsulfanylphenyl)acetamide
CID 9153755
N-[3-[[2-(3-methylphenoxy)acetyl]amino]phenyl]propanamide
CID 883065
3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-N,N-dipropylbenzamide
CID 26162321
4-[[2-(3-propan-2-yloxyanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54830248
diethyl-[2-[4-[[2-(3-methylphenoxy)acetyl]amino]benzoyl]oxyethyl]azanium
CID 8961513

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3-methylphenoxy)acetyl]amino]-N,N-dipropylbenzamide?
The IUPAC name of 4-[[2-(3-methylphenoxy)acetyl]amino]-N,N-dipropylbenzamide (CID 17196123) is 4-[[2-(3-methylphenoxy)acetyl]amino]-N,N-dipropylbenzamide.
What is the SMILES notation for 4-[[2-(3-methylphenoxy)acetyl]amino]-N,N-dipropylbenzamide?
The canonical SMILES for 4-[[2-(3-methylphenoxy)acetyl]amino]-N,N-dipropylbenzamide is CCCN(CCC)C(=O)c1ccc(NC(=O)COc2cccc(C)c2)cc1.
What is the InChIKey of 4-[[2-(3-methylphenoxy)acetyl]amino]-N,N-dipropylbenzamide?
The InChIKey is JTPPDWZWHZOXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-4-13-24(14-5-2)22(26)18-9-11-19(12-10-18)23-21(25)16-27-20-8-6-7-17(3)15-20/h6-12,15H,4-5,13-14,16H2,1-3H3,(H,23,25).
What are the key properties of 4-[[2-(3-methylphenoxy)acetyl]amino]-N,N-dipropylbenzamide?
4-[[2-(3-methylphenoxy)acetyl]amino]-N,N-dipropylbenzamide has a molecular weight of 368.48 g/mol, XLogP of 4.27, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3-methylphenoxy)acetyl]amino]-N,N-dipropylbenzamide is sourced from PubChem (CID 17196123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).