2-[2-[(3-methoxyphenyl)methoxy]propanoylamino]-N-(1-phenylethyl)benzamide

C26H28N2O4 — CID 43077572

IUPAC2-[2-[(3-methoxyphenyl)methoxy]propanoylamino]-N-(1-phenylethyl)benzamide
SMILESCOc1cccc(COC(C)C(=O)Nc2ccccc2C(=O)NC(C)c2ccccc2)c1
InChIInChI=1S/C26H28N2O4/c1-18(21-11-5-4-6-12-21)27-26(30)23-14-7-8-15-24(23)28-25(29)19(2)32-17-20-10-9-13-22(16-20)31-3/h4-16,18-19H,17H2,1-3H3,(H,27,30)(H,28,29)
InChIKeyRQJQFPQYFMGIRF-UHFFFAOYSA-N
MW432.52 g/mol
LogP4.73
Rot. Bonds9

About 2-[2-[(3-methoxyphenyl)methoxy]propanoylamino]-N-(1-phenylethyl)benzamide

2-[2-[(3-methoxyphenyl)methoxy]propanoylamino]-N-(1-phenylethyl)benzamide (PubChem CID 43077572) has the molecular formula C26H28N2O4 and a molecular weight of 432.52 g/mol. Its IUPAC name is 2-[2-[(3-methoxyphenyl)methoxy]propanoylamino]-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name2-[2-[(3-methoxyphenyl)methoxy]propanoylamino]-N-(1-phenylethyl)benzamide
PubChem CID43077572
Molecular FormulaC26H28N2O4
Molecular Weight432.52 g/mol
Exact Mass432.20
IUPAC Name2-[2-[(3-methoxyphenyl)methoxy]propanoylamino]-N-(1-phenylethyl)benzamide
SMILESCOc1cccc(COC(C)C(=O)Nc2ccccc2C(=O)NC(C)c2ccccc2)c1
InChIInChI=1S/C26H28N2O4/c1-18(21-11-5-4-6-12-21)27-26(30)23-14-7-8-15-24(23)28-25(29)19(2)32-17-20-10-9-13-22(16-20)31-3/h4-16,18-19H,17H2,1-3H3,(H,27,30)(H,28,29)
InChIKeyRQJQFPQYFMGIRF-UHFFFAOYSA-N
XLogP4.73
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(3-methoxyphenyl)methoxy]propanoylamino]-N-propan-2-ylbenzamide
CID 60552955
2-[(3-methoxyphenyl)methoxy]-N-(2-phenoxyphenyl)propanamide
CID 46450815
2-[[(2S)-2-phenoxypropanoyl]amino]-N-[(1R)-1-phenylethyl]benzamide
CID 29448293
2-[2-(2-methoxyphenoxy)propanoylamino]-N-(1-phenylethyl)benzamide
CID 4943270
2-[(3-methoxyphenyl)methoxy]-N-(2,3,4-trifluorophenyl)propanamide
CID 86985434
N-butan-2-yl-2-[2-(3-methoxyphenoxy)propanoylamino]benzamide
CID 43877103
2-[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]-N-[(1S)-1-phenylethyl]benzamide
CID 26242811
2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]-N-[(1R)-1-phenylethyl]benzamide
CID 42426832
2-[(2-phenylacetyl)amino]-N-[(1S)-1-phenylethyl]benzamide
CID 1210513
N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-[(3-methoxyphenyl)methoxy]propanamide
CID 55686685
3-[4-[2-[(3-methoxyphenyl)methoxy]propanoylamino]phenyl]-2-methylpropanoic acid
CID 120540630
N-(3,5-dimethylphenyl)-2-[(3-methoxyphenyl)methoxy]propanamide
CID 46469470

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-methoxyphenyl)methoxy]propanoylamino]-N-(1-phenylethyl)benzamide?
The IUPAC name of 2-[2-[(3-methoxyphenyl)methoxy]propanoylamino]-N-(1-phenylethyl)benzamide (CID 43077572) is 2-[2-[(3-methoxyphenyl)methoxy]propanoylamino]-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 2-[2-[(3-methoxyphenyl)methoxy]propanoylamino]-N-(1-phenylethyl)benzamide?
The canonical SMILES for 2-[2-[(3-methoxyphenyl)methoxy]propanoylamino]-N-(1-phenylethyl)benzamide is COc1cccc(COC(C)C(=O)Nc2ccccc2C(=O)NC(C)c2ccccc2)c1.
What is the InChIKey of 2-[2-[(3-methoxyphenyl)methoxy]propanoylamino]-N-(1-phenylethyl)benzamide?
The InChIKey is RQJQFPQYFMGIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O4/c1-18(21-11-5-4-6-12-21)27-26(30)23-14-7-8-15-24(23)28-25(29)19(2)32-17-20-10-9-13-22(16-20)31-3/h4-16,18-19H,17H2,1-3H3,(H,27,30)(H,28,29).
What are the key properties of 2-[2-[(3-methoxyphenyl)methoxy]propanoylamino]-N-(1-phenylethyl)benzamide?
2-[2-[(3-methoxyphenyl)methoxy]propanoylamino]-N-(1-phenylethyl)benzamide has a molecular weight of 432.52 g/mol, XLogP of 4.73, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-methoxyphenyl)methoxy]propanoylamino]-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 43077572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).