3-[(2-phenoxyacetyl)amino]-N,N-dipropylbenzamide

C21H26N2O3 — CID 26162248

IUPAC3-[(2-phenoxyacetyl)amino]-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1cccc(NC(=O)COc2ccccc2)c1
InChIInChI=1S/C21H26N2O3/c1-3-13-23(14-4-2)21(25)17-9-8-10-18(15-17)22-20(24)16-26-19-11-6-5-7-12-19/h5-12,15H,3-4,13-14,16H2,1-2H3,(H,22,24)
InChIKeyHJVWHSHJUAZCNN-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.97
Rot. Bonds9

About 3-[(2-phenoxyacetyl)amino]-N,N-dipropylbenzamide

3-[(2-phenoxyacetyl)amino]-N,N-dipropylbenzamide (PubChem CID 26162248) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 3-[(2-phenoxyacetyl)amino]-N,N-dipropylbenzamide.

Molecular Properties

Compound Name3-[(2-phenoxyacetyl)amino]-N,N-dipropylbenzamide
PubChem CID26162248
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name3-[(2-phenoxyacetyl)amino]-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1cccc(NC(=O)COc2ccccc2)c1
InChIInChI=1S/C21H26N2O3/c1-3-13-23(14-4-2)21(25)17-9-8-10-18(15-17)22-20(24)16-26-19-11-6-5-7-12-19/h5-12,15H,3-4,13-14,16H2,1-2H3,(H,22,24)
InChIKeyHJVWHSHJUAZCNN-UHFFFAOYSA-N
XLogP3.97
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-3-[[2-(4-propoxyphenoxy)acetyl]amino]benzamide
CID 78775457
3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-N,N-dipropylbenzamide
CID 26162321
3-[[2-(3-bromophenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 27875323
3-[[2-[3-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]-N,N-dipropylbenzamide
CID 54841190
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 3-phenoxypropanoate
CID 8579079
3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N,N-dipropylbenzamide
CID 26162275
N-benzyl-N-methyl-3-[(2-phenoxyacetyl)amino]benzamide
CID 26162773
3-[[2-(3-phenylmethoxyanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54826503
3-[(2-phenoxyacetyl)amino]benzamide
CID 910367
4-[[2-(3-methylphenoxy)acetyl]amino]-N,N-dipropylbenzamide
CID 17196123
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium
CID 8754906
3-[[2-(methylamino)acetyl]amino]-N,N-dipropylbenzamide
CID 54820981

Frequently Asked Questions

What is the IUPAC name of 3-[(2-phenoxyacetyl)amino]-N,N-dipropylbenzamide?
The IUPAC name of 3-[(2-phenoxyacetyl)amino]-N,N-dipropylbenzamide (CID 26162248) is 3-[(2-phenoxyacetyl)amino]-N,N-dipropylbenzamide.
What is the SMILES notation for 3-[(2-phenoxyacetyl)amino]-N,N-dipropylbenzamide?
The canonical SMILES for 3-[(2-phenoxyacetyl)amino]-N,N-dipropylbenzamide is CCCN(CCC)C(=O)c1cccc(NC(=O)COc2ccccc2)c1.
What is the InChIKey of 3-[(2-phenoxyacetyl)amino]-N,N-dipropylbenzamide?
The InChIKey is HJVWHSHJUAZCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-3-13-23(14-4-2)21(25)17-9-8-10-18(15-17)22-20(24)16-26-19-11-6-5-7-12-19/h5-12,15H,3-4,13-14,16H2,1-2H3,(H,22,24).
What are the key properties of 3-[(2-phenoxyacetyl)amino]-N,N-dipropylbenzamide?
3-[(2-phenoxyacetyl)amino]-N,N-dipropylbenzamide has a molecular weight of 354.45 g/mol, XLogP of 3.97, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-phenoxyacetyl)amino]-N,N-dipropylbenzamide is sourced from PubChem (CID 26162248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).