3-[2-(3-methylphenoxy)butanoylamino]-N-(1-phenylethyl)benzamide

C26H28N2O3 — CID 43877810

IUPAC3-[2-(3-methylphenoxy)butanoylamino]-N-(1-phenylethyl)benzamide
SMILESCCC(Oc1cccc(C)c1)C(=O)Nc1cccc(C(=O)NC(C)c2ccccc2)c1
InChIInChI=1S/C26H28N2O3/c1-4-24(31-23-15-8-10-18(2)16-23)26(30)28-22-14-9-13-21(17-22)25(29)27-19(3)20-11-6-5-7-12-20/h5-17,19,24H,4H2,1-3H3,(H,27,29)(H,28,30)
InChIKeyXLZZYRJVLUQCTA-UHFFFAOYSA-N
MW416.52 g/mol
LogP5.28
Rot. Bonds8

About 3-[2-(3-methylphenoxy)butanoylamino]-N-(1-phenylethyl)benzamide

3-[2-(3-methylphenoxy)butanoylamino]-N-(1-phenylethyl)benzamide (PubChem CID 43877810) has the molecular formula C26H28N2O3 and a molecular weight of 416.52 g/mol. Its IUPAC name is 3-[2-(3-methylphenoxy)butanoylamino]-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name3-[2-(3-methylphenoxy)butanoylamino]-N-(1-phenylethyl)benzamide
PubChem CID43877810
Molecular FormulaC26H28N2O3
Molecular Weight416.52 g/mol
Exact Mass416.21
IUPAC Name3-[2-(3-methylphenoxy)butanoylamino]-N-(1-phenylethyl)benzamide
SMILESCCC(Oc1cccc(C)c1)C(=O)Nc1cccc(C(=O)NC(C)c2ccccc2)c1
InChIInChI=1S/C26H28N2O3/c1-4-24(31-23-15-8-10-18(2)16-23)26(30)28-22-14-9-13-21(17-22)25(29)27-19(3)20-11-6-5-7-12-20/h5-17,19,24H,4H2,1-3H3,(H,27,29)(H,28,30)
InChIKeyXLZZYRJVLUQCTA-UHFFFAOYSA-N
XLogP5.28
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.52
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(2-butan-2-ylphenoxy)butanoylamino]-N-(1-phenylethyl)benzamide
CID 43877899
3-(2-phenoxypropanoylamino)-N-(1-phenylethyl)benzamide
CID 43877796
N-[4-[2-(3-methylphenoxy)butanoylamino]phenyl]benzamide
CID 17235402
2-(3-methylphenoxy)-N-[3-(2-methylpropanoylamino)phenyl]butanamide
CID 17189216
N-tert-butyl-3-(2-phenoxybutanoylamino)benzamide
CID 43887296
N-(3-chloro-4-fluorophenyl)-3-[2-(3-methylphenoxy)butanoylamino]benzamide
CID 43877932
3-[(2,2-diphenylacetyl)amino]-N-(1-phenylethyl)benzamide
CID 43877741
N-(1-phenylethyl)-3-(propanoylamino)benzamide
CID 17309569
3-[(2-phenoxyacetyl)amino]-N-(1-phenylethyl)benzamide
CID 43877736
4-tert-butyl-N-[3-[2-(3-methylphenoxy)butanoylamino]phenyl]benzamide
CID 17232344
(2S)-2-(3-methylphenoxy)-N-[4-(propanoylamino)phenyl]butanamide
CID 42579555
(2R)-2-(3-methylphenoxy)-N-[4-(propanoylamino)phenyl]butanamide
CID 42579556

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-methylphenoxy)butanoylamino]-N-(1-phenylethyl)benzamide?
The IUPAC name of 3-[2-(3-methylphenoxy)butanoylamino]-N-(1-phenylethyl)benzamide (CID 43877810) is 3-[2-(3-methylphenoxy)butanoylamino]-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 3-[2-(3-methylphenoxy)butanoylamino]-N-(1-phenylethyl)benzamide?
The canonical SMILES for 3-[2-(3-methylphenoxy)butanoylamino]-N-(1-phenylethyl)benzamide is CCC(Oc1cccc(C)c1)C(=O)Nc1cccc(C(=O)NC(C)c2ccccc2)c1.
What is the InChIKey of 3-[2-(3-methylphenoxy)butanoylamino]-N-(1-phenylethyl)benzamide?
The InChIKey is XLZZYRJVLUQCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O3/c1-4-24(31-23-15-8-10-18(2)16-23)26(30)28-22-14-9-13-21(17-22)25(29)27-19(3)20-11-6-5-7-12-20/h5-17,19,24H,4H2,1-3H3,(H,27,29)(H,28,30).
What are the key properties of 3-[2-(3-methylphenoxy)butanoylamino]-N-(1-phenylethyl)benzamide?
3-[2-(3-methylphenoxy)butanoylamino]-N-(1-phenylethyl)benzamide has a molecular weight of 416.52 g/mol, XLogP of 5.28, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-methylphenoxy)butanoylamino]-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 43877810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).