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

C21H26N2O3 — CID 31288850

IUPAC3-[[2-(2,3-dimethylphenoxy)acetyl]amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)COc2cccc(C)c2C)c1
InChIInChI=1S/C21H26N2O3/c1-5-23(6-2)21(25)17-10-8-11-18(13-17)22-20(24)14-26-19-12-7-9-15(3)16(19)4/h7-13H,5-6,14H2,1-4H3,(H,22,24)
InChIKeyIULADUNJPUDUPS-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.80
Rot. Bonds7

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

3-[[2-(2,3-dimethylphenoxy)acetyl]amino]-N,N-diethylbenzamide (PubChem CID 31288850) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 3-[[2-(2,3-dimethylphenoxy)acetyl]amino]-N,N-diethylbenzamide.

Molecular Properties

Compound Name3-[[2-(2,3-dimethylphenoxy)acetyl]amino]-N,N-diethylbenzamide
PubChem CID31288850
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name3-[[2-(2,3-dimethylphenoxy)acetyl]amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)COc2cccc(C)c2C)c1
InChIInChI=1S/C21H26N2O3/c1-5-23(6-2)21(25)17-10-8-11-18(13-17)22-20(24)14-26-19-12-7-9-15(3)16(19)4/h7-13H,5-6,14H2,1-4H3,(H,22,24)
InChIKeyIULADUNJPUDUPS-UHFFFAOYSA-N
XLogP3.80
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 ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(2,3-dimethylphenoxy)acetyl]amino]benzoic acid
CID 720618
N-[3-[[2-(2,3-dimethylphenoxy)acetyl]amino]phenyl]benzamide
CID 1334409
3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 17194482
2-(2,3-dimethylphenoxy)-N-(3-propoxyphenyl)acetamide
CID 17097883
3-[[2-(2,6-dimethylanilino)acetyl]amino]-N,N-diethylbenzamide
CID 54818144
3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-N,N-dipropylbenzamide
CID 26162321
N,N-diethyl-3-[[2-(4-propoxyphenoxy)acetyl]amino]benzamide
CID 78775457
3-[[2-(3-bromophenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 27875323
3-[[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N,N-diethylbenzamide
CID 8553890
N,N-diethyl-3-[[2-(3-formylphenoxy)acetyl]amino]benzamide
CID 60607023
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 3,4-dimethylbenzoate
CID 9290674
3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N,N-dipropylbenzamide
CID 26162275

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2,3-dimethylphenoxy)acetyl]amino]-N,N-diethylbenzamide?
The IUPAC name of 3-[[2-(2,3-dimethylphenoxy)acetyl]amino]-N,N-diethylbenzamide (CID 31288850) is 3-[[2-(2,3-dimethylphenoxy)acetyl]amino]-N,N-diethylbenzamide.
What is the SMILES notation for 3-[[2-(2,3-dimethylphenoxy)acetyl]amino]-N,N-diethylbenzamide?
The canonical SMILES for 3-[[2-(2,3-dimethylphenoxy)acetyl]amino]-N,N-diethylbenzamide is CCN(CC)C(=O)c1cccc(NC(=O)COc2cccc(C)c2C)c1.
What is the InChIKey of 3-[[2-(2,3-dimethylphenoxy)acetyl]amino]-N,N-diethylbenzamide?
The InChIKey is IULADUNJPUDUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-5-23(6-2)21(25)17-10-8-11-18(13-17)22-20(24)14-26-19-12-7-9-15(3)16(19)4/h7-13H,5-6,14H2,1-4H3,(H,22,24).
What are the key properties of 3-[[2-(2,3-dimethylphenoxy)acetyl]amino]-N,N-diethylbenzamide?
3-[[2-(2,3-dimethylphenoxy)acetyl]amino]-N,N-diethylbenzamide has a molecular weight of 354.45 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2,3-dimethylphenoxy)acetyl]amino]-N,N-diethylbenzamide is sourced from PubChem (CID 31288850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).