3-[[2-[2-(2,6-dimethylphenoxy)anilino]acetyl]amino]-N,N-dimethylbenzamide

C25H27N3O3 — CID 60587775

IUPAC3-[[2-[2-(2,6-dimethylphenoxy)anilino]acetyl]amino]-N,N-dimethylbenzamide
SMILESCc1cccc(C)c1Oc1ccccc1NCC(=O)Nc1cccc(C(=O)N(C)C)c1
InChIInChI=1S/C25H27N3O3/c1-17-9-7-10-18(2)24(17)31-22-14-6-5-13-21(22)26-16-23(29)27-20-12-8-11-19(15-20)25(30)28(3)4/h5-15,26H,16H2,1-4H3,(H,27,29)
InChIKeyHCDAGXAQDPDDLR-UHFFFAOYSA-N
MW417.51 g/mol
LogP4.85
Rot. Bonds7

About 3-[[2-[2-(2,6-dimethylphenoxy)anilino]acetyl]amino]-N,N-dimethylbenzamide

3-[[2-[2-(2,6-dimethylphenoxy)anilino]acetyl]amino]-N,N-dimethylbenzamide (PubChem CID 60587775) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is 3-[[2-[2-(2,6-dimethylphenoxy)anilino]acetyl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[[2-[2-(2,6-dimethylphenoxy)anilino]acetyl]amino]-N,N-dimethylbenzamide
PubChem CID60587775
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC Name3-[[2-[2-(2,6-dimethylphenoxy)anilino]acetyl]amino]-N,N-dimethylbenzamide
SMILESCc1cccc(C)c1Oc1ccccc1NCC(=O)Nc1cccc(C(=O)N(C)C)c1
InChIInChI=1S/C25H27N3O3/c1-17-9-7-10-18(2)24(17)31-22-14-6-5-13-21(22)26-16-23(29)27-20-12-8-11-19(15-20)25(30)28(3)4/h5-15,26H,16H2,1-4H3,(H,27,29)
InChIKeyHCDAGXAQDPDDLR-UHFFFAOYSA-N
XLogP4.85
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(2-ethoxyanilino)acetyl]amino]-N,N-dimethylbenzamide
CID 29458921
3-[[2-(2,6-dimethylanilino)acetyl]amino]-N,N-dimethylbenzamide
CID 32908676
3-[[2-(4-chloro-2-methoxy-5-methylanilino)acetyl]amino]-N,N-dimethylbenzamide
CID 29459517
3-[[2-[5-(butanoylamino)-2-chloroanilino]acetyl]amino]-N,N-dimethylbenzamide
CID 54831270
3-[[2-(2,3-dimethylanilino)acetyl]amino]-N-methyl-N-phenylbenzamide
CID 54816099
3-[[2-(3-ethoxyanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 54840596
N,N-dimethyl-3-[[2-(2-methyl-5-methylsulfonylanilino)acetyl]amino]benzamide
CID 29471513
2-[[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-prop-2-enylbenzamide
CID 32991361
N-benzyl-N-methyl-3-[[2-(2-phenylmethoxyanilino)acetyl]amino]benzamide
CID 54828122
3-[[2-(3-chloro-4-methylanilino)acetyl]amino]-N,N-dimethylbenzamide
CID 54816056
2-[[2-[3-(dimethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54840518
N,N'-bis[3-(dimethylcarbamoyl)phenyl]butanediamide
CID 17232267

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[2-(2,6-dimethylphenoxy)anilino]acetyl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 3-[[2-[2-(2,6-dimethylphenoxy)anilino]acetyl]amino]-N,N-dimethylbenzamide (CID 60587775) is 3-[[2-[2-(2,6-dimethylphenoxy)anilino]acetyl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[[2-[2-(2,6-dimethylphenoxy)anilino]acetyl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[[2-[2-(2,6-dimethylphenoxy)anilino]acetyl]amino]-N,N-dimethylbenzamide is Cc1cccc(C)c1Oc1ccccc1NCC(=O)Nc1cccc(C(=O)N(C)C)c1.
What is the InChIKey of 3-[[2-[2-(2,6-dimethylphenoxy)anilino]acetyl]amino]-N,N-dimethylbenzamide?
The InChIKey is HCDAGXAQDPDDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-17-9-7-10-18(2)24(17)31-22-14-6-5-13-21(22)26-16-23(29)27-20-12-8-11-19(15-20)25(30)28(3)4/h5-15,26H,16H2,1-4H3,(H,27,29).
What are the key properties of 3-[[2-[2-(2,6-dimethylphenoxy)anilino]acetyl]amino]-N,N-dimethylbenzamide?
3-[[2-[2-(2,6-dimethylphenoxy)anilino]acetyl]amino]-N,N-dimethylbenzamide has a molecular weight of 417.51 g/mol, XLogP of 4.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[2-(2,6-dimethylphenoxy)anilino]acetyl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 60587775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).