2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N,N-diethylbenzamide

C21H26N2O3 — CID 86835516

IUPAC2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccccc1NC(=O)COc1c(C)cccc1C
InChIInChI=1S/C21H26N2O3/c1-5-23(6-2)21(25)17-12-7-8-13-18(17)22-19(24)14-26-20-15(3)10-9-11-16(20)4/h7-13H,5-6,14H2,1-4H3,(H,22,24)
InChIKeyJNIVOIYUNMNHEG-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.80
Rot. Bonds7

About 2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N,N-diethylbenzamide

2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N,N-diethylbenzamide (PubChem CID 86835516) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N,N-diethylbenzamide.

Molecular Properties

Compound Name2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N,N-diethylbenzamide
PubChem CID86835516
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccccc1NC(=O)COc1c(C)cccc1C
InChIInChI=1S/C21H26N2O3/c1-5-23(6-2)21(25)17-12-7-8-13-18(17)22-19(24)14-26-20-15(3)10-9-11-16(20)4/h7-13H,5-6,14H2,1-4H3,(H,22,24)
InChIKeyJNIVOIYUNMNHEG-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

2-[[2-(2,6-dimethylphenoxy)acetyl]amino]benzoic acid
CID 5046071
2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N-methylbenzamide
CID 17353983
2-(2,6-dimethylphenoxy)-N-(2-ethoxyphenyl)acetamide
CID 834898
4-[[2-[[2-(2,6-dimethylphenoxy)acetyl]amino]benzoyl]amino]benzoic acid
CID 1298155
N,N-diethyl-2-methoxy-3-methylbenzamide
CID 12902424
N,N-diethyl-4-[2-(2-methylanilino)-2-oxoethoxy]benzamide
CID 18837658
N,N-diethyl-2-[4-(4-methylphenoxy)butanoylamino]benzamide
CID 21368478
N-(3-chloro-2-methylphenyl)-2-(2,6-dimethylphenoxy)acetamide
CID 835994
N,N-diethyl-2-[[2-(2-methoxyethylamino)acetyl]amino]benzamide;hydrochloride
CID 119746610
N,N-diethyl-2-(3-propan-2-yloxypropanoylamino)benzamide
CID 86835537
N,N-diethyl-2-[[2-(2-methoxyphenyl)acetyl]amino]benzamide
CID 86835472
2-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide
CID 17186649

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N,N-diethylbenzamide?
The IUPAC name of 2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N,N-diethylbenzamide (CID 86835516) is 2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N,N-diethylbenzamide.
What is the SMILES notation for 2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N,N-diethylbenzamide?
The canonical SMILES for 2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccccc1NC(=O)COc1c(C)cccc1C.
What is the InChIKey of 2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N,N-diethylbenzamide?
The InChIKey is JNIVOIYUNMNHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-5-23(6-2)21(25)17-12-7-8-13-18(17)22-19(24)14-26-20-15(3)10-9-11-16(20)4/h7-13H,5-6,14H2,1-4H3,(H,22,24).
What are the key properties of 2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N,N-diethylbenzamide?
2-[[2-(2,6-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 2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N,N-diethylbenzamide is sourced from PubChem (CID 86835516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).