4-ethoxy-3-methoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide

C20H25NO3 — CID 1243127

IUPAC4-ethoxy-3-methoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide
SMILESCCOc1ccc(C(=O)N[C@H](C)CCc2ccccc2)cc1OC
InChIInChI=1S/C20H25NO3/c1-4-24-18-13-12-17(14-19(18)23-3)20(22)21-15(2)10-11-16-8-6-5-7-9-16/h5-9,12-15H,4,10-11H2,1-3H3,(H,21,22)/t15-/m1/s1
InChIKeyYURDXRKMKJONKN-OAHLLOKOSA-N
MW327.42 g/mol
LogP3.85
Rot. Bonds8

About 4-ethoxy-3-methoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide

4-ethoxy-3-methoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide (PubChem CID 1243127) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is 4-ethoxy-3-methoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide.

Molecular Properties

Compound Name4-ethoxy-3-methoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide
PubChem CID1243127
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name4-ethoxy-3-methoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide
SMILESCCOc1ccc(C(=O)N[C@H](C)CCc2ccccc2)cc1OC
InChIInChI=1S/C20H25NO3/c1-4-24-18-13-12-17(14-19(18)23-3)20(22)21-15(2)10-11-16-8-6-5-7-9-16/h5-9,12-15H,4,10-11H2,1-3H3,(H,21,22)/t15-/m1/s1
InChIKeyYURDXRKMKJONKN-OAHLLOKOSA-N
XLogP3.85
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-diethoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 798797
4-ethoxy-3-[(3-methoxyphenoxy)methyl]-N-(4-phenylbutan-2-yl)benzamide
CID 133254130
4-methoxy-3-(phenoxymethyl)-N-(4-phenylbutan-2-yl)benzamide
CID 133149991
3,4-dimethoxy-N-(1-phenylpropan-2-yl)benzamide
CID 2843229
3,5-diethoxy-N-(4-phenylbutan-2-yl)benzamide
CID 46853566
2-[(4-ethoxy-3-methoxybenzoyl)amino]propanoic acid
CID 43092046
4-methoxy-3-(methylsulfamoyl)-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 40742244
methyl 3-methoxy-4-[2-oxo-2-(4-phenylbutan-2-ylamino)ethoxy]benzoate
CID 17438151
3,4-dimethyl-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 903724
4-methoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 854833
N-[(2S)-butan-2-yl]-3-ethoxy-4-methoxybenzamide
CID 94335981
3-[(3,4-dimethylphenoxy)methyl]-4-methoxy-N-(4-phenylbutan-2-yl)benzamide
CID 133178361

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-methoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide?
The IUPAC name of 4-ethoxy-3-methoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide (CID 1243127) is 4-ethoxy-3-methoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide.
What is the SMILES notation for 4-ethoxy-3-methoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide?
The canonical SMILES for 4-ethoxy-3-methoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide is CCOc1ccc(C(=O)N[C@H](C)CCc2ccccc2)cc1OC.
What is the InChIKey of 4-ethoxy-3-methoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide?
The InChIKey is YURDXRKMKJONKN-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H25NO3/c1-4-24-18-13-12-17(14-19(18)23-3)20(22)21-15(2)10-11-16-8-6-5-7-9-16/h5-9,12-15H,4,10-11H2,1-3H3,(H,21,22)/t15-/m1/s1.
What are the key properties of 4-ethoxy-3-methoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide?
4-ethoxy-3-methoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide has a molecular weight of 327.42 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-methoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide is sourced from PubChem (CID 1243127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).