3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide

C27H30N2O3 — CID 43877767

IUPAC3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide
SMILESCc1ccc(C(C)C)c(OCC(=O)Nc2cccc(C(=O)NC(C)c3ccccc3)c2)c1
InChIInChI=1S/C27H30N2O3/c1-18(2)24-14-13-19(3)15-25(24)32-17-26(30)29-23-12-8-11-22(16-23)27(31)28-20(4)21-9-6-5-7-10-21/h5-16,18,20H,17H2,1-4H3,(H,28,31)(H,29,30)
InChIKeyJBBFKHQXAYKHON-UHFFFAOYSA-N
MW430.55 g/mol
LogP5.63
Rot. Bonds8

About 3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide

3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide (PubChem CID 43877767) has the molecular formula C27H30N2O3 and a molecular weight of 430.55 g/mol. Its IUPAC name is 3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide
PubChem CID43877767
Molecular FormulaC27H30N2O3
Molecular Weight430.55 g/mol
Exact Mass430.23
IUPAC Name3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide
SMILESCc1ccc(C(C)C)c(OCC(=O)Nc2cccc(C(=O)NC(C)c3ccccc3)c2)c1
InChIInChI=1S/C27H30N2O3/c1-18(2)24-14-13-19(3)15-25(24)32-17-26(30)29-23-12-8-11-22(16-23)27(31)28-20(4)21-9-6-5-7-10-21/h5-16,18,20H,17H2,1-4H3,(H,28,31)(H,29,30)
InChIKeyJBBFKHQXAYKHON-UHFFFAOYSA-N
XLogP5.63
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.55
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzamide
CID 17198816
N-(3-methylphenyl)-3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzamide
CID 26164580
3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzamide
CID 16618761
2-(5-methyl-2-propan-2-ylphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 921036
methyl 3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 4787643
3-[(2-phenoxyacetyl)amino]-N-(1-phenylethyl)benzamide
CID 43877736
N-(3-methylphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 682181
N-[3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide
CID 17231324
ethyl 3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 17066452
N-(3-bromophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 1181239
N-(1-phenylethyl)-4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzamide
CID 43887467
[2-(3-acetylanilino)-2-oxoethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate
CID 7839422

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide?
The IUPAC name of 3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide (CID 43877767) is 3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide?
The canonical SMILES for 3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide is Cc1ccc(C(C)C)c(OCC(=O)Nc2cccc(C(=O)NC(C)c3ccccc3)c2)c1.
What is the InChIKey of 3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide?
The InChIKey is JBBFKHQXAYKHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O3/c1-18(2)24-14-13-19(3)15-25(24)32-17-26(30)29-23-12-8-11-22(16-23)27(31)28-20(4)21-9-6-5-7-10-21/h5-16,18,20H,17H2,1-4H3,(H,28,31)(H,29,30).
What are the key properties of 3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide?
3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide has a molecular weight of 430.55 g/mol, XLogP of 5.63, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 43877767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).