4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide

C25H26N2O3 — CID 43887543

IUPAC4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide
SMILESCc1ccc(OCC(=O)Nc2ccc(C(=O)NC(C)c3ccccc3)cc2)cc1C
InChIInChI=1S/C25H26N2O3/c1-17-9-14-23(15-18(17)2)30-16-24(28)27-22-12-10-21(11-13-22)25(29)26-19(3)20-7-5-4-6-8-20/h4-15,19H,16H2,1-3H3,(H,26,29)(H,27,28)
InChIKeyJELXKUMKGCUDOL-UHFFFAOYSA-N
MW402.49 g/mol
LogP4.81
Rot. Bonds7

About 4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide

4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide (PubChem CID 43887543) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is 4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide
PubChem CID43887543
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC Name4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide
SMILESCc1ccc(OCC(=O)Nc2ccc(C(=O)NC(C)c3ccccc3)cc2)cc1C
InChIInChI=1S/C25H26N2O3/c1-17-9-14-23(15-18(17)2)30-16-24(28)27-22-12-10-21(11-13-22)25(29)26-19(3)20-7-5-4-6-8-20/h4-15,19H,16H2,1-3H3,(H,26,29)(H,27,28)
InChIKeyJELXKUMKGCUDOL-UHFFFAOYSA-N
XLogP4.81
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-phenylethyl)-4-[[2-(4-phenylphenoxy)acetyl]amino]benzamide
CID 43887555
4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-phenylbenzamide
CID 17359274
4-[[2-(4-bromophenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 43887517
4-[[2-(3-ethylphenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 43912204
4-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
CID 54846371
N-(1-phenylethyl)-4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzamide
CID 43887467
3-[(2-phenoxyacetyl)amino]-N-(1-phenylethyl)benzamide
CID 43877736
4-[[2-(naphthalen-2-ylamino)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54839780
N-(2-acetamidoethyl)-4-[[2-(3,4-dimethylphenoxy)acetyl]amino]benzamide
CID 121062184
4-[[2-[3-(2-phenoxyethoxy)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54825206
2-(3,4-dimethylphenoxy)-N-(4-phenylsulfanylphenyl)acetamide
CID 1121779
2-(3,4-dimethylphenoxy)-N-(4-phenylmethoxyphenyl)acetamide
CID 4947508

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide?
The IUPAC name of 4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide (CID 43887543) is 4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide?
The canonical SMILES for 4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide is Cc1ccc(OCC(=O)Nc2ccc(C(=O)NC(C)c3ccccc3)cc2)cc1C.
What is the InChIKey of 4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide?
The InChIKey is JELXKUMKGCUDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-17-9-14-23(15-18(17)2)30-16-24(28)27-22-12-10-21(11-13-22)25(29)26-19(3)20-7-5-4-6-8-20/h4-15,19H,16H2,1-3H3,(H,26,29)(H,27,28).
What are the key properties of 4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide?
4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide has a molecular weight of 402.49 g/mol, XLogP of 4.81, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 43887543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).