3,5-diethoxy-N-(4-phenylbutan-2-yl)benzamide

C21H27NO3 — CID 46853566

IUPAC3,5-diethoxy-N-(4-phenylbutan-2-yl)benzamide
SMILESCCOc1cc(OCC)cc(C(=O)NC(C)CCc2ccccc2)c1
InChIInChI=1S/C21H27NO3/c1-4-24-19-13-18(14-20(15-19)25-5-2)21(23)22-16(3)11-12-17-9-7-6-8-10-17/h6-10,13-16H,4-5,11-12H2,1-3H3,(H,22,23)
InChIKeyBQMBZELWROKAOT-UHFFFAOYSA-N
MW341.45 g/mol
LogP4.24
Rot. Bonds9

About 3,5-diethoxy-N-(4-phenylbutan-2-yl)benzamide

3,5-diethoxy-N-(4-phenylbutan-2-yl)benzamide (PubChem CID 46853566) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is 3,5-diethoxy-N-(4-phenylbutan-2-yl)benzamide.

Molecular Properties

Compound Name3,5-diethoxy-N-(4-phenylbutan-2-yl)benzamide
PubChem CID46853566
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC Name3,5-diethoxy-N-(4-phenylbutan-2-yl)benzamide
SMILESCCOc1cc(OCC)cc(C(=O)NC(C)CCc2ccccc2)c1
InChIInChI=1S/C21H27NO3/c1-4-24-19-13-18(14-20(15-19)25-5-2)21(23)22-16(3)11-12-17-9-7-6-8-10-17/h6-10,13-16H,4-5,11-12H2,1-3H3,(H,22,23)
InChIKeyBQMBZELWROKAOT-UHFFFAOYSA-N
XLogP4.24
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 54.24
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-methoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 1243127
4-methoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 854833
diethyl 5-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethoxy]benzene-1,3-dicarboxylate
CID 7917436
3-bromo-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 880257
3-bromo-N-(4-phenylbutan-2-yl)benzamide
CID 2900387
N-[(2S)-4-phenylbutan-2-yl]-4-propan-2-yloxybenzamide
CID 1263174
4-ethoxy-3-[(3-methoxyphenoxy)methyl]-N-(4-phenylbutan-2-yl)benzamide
CID 133254130
[4-(4-phenylbutan-2-ylcarbamoyl)phenyl] acetate
CID 3865423
N-[(2R)-4-phenylbutan-2-yl]-4-prop-2-enoxybenzamide
CID 40746031
5-bromo-2-ethoxy-N-(4-phenylbutan-2-yl)benzamide
CID 2947744
[(2R)-1-oxo-1-[[(2S)-4-phenylbutan-2-yl]amino]propan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7899514

Frequently Asked Questions

What is the IUPAC name of 3,5-diethoxy-N-(4-phenylbutan-2-yl)benzamide?
The IUPAC name of 3,5-diethoxy-N-(4-phenylbutan-2-yl)benzamide (CID 46853566) is 3,5-diethoxy-N-(4-phenylbutan-2-yl)benzamide.
What is the SMILES notation for 3,5-diethoxy-N-(4-phenylbutan-2-yl)benzamide?
The canonical SMILES for 3,5-diethoxy-N-(4-phenylbutan-2-yl)benzamide is CCOc1cc(OCC)cc(C(=O)NC(C)CCc2ccccc2)c1.
What is the InChIKey of 3,5-diethoxy-N-(4-phenylbutan-2-yl)benzamide?
The InChIKey is BQMBZELWROKAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c1-4-24-19-13-18(14-20(15-19)25-5-2)21(23)22-16(3)11-12-17-9-7-6-8-10-17/h6-10,13-16H,4-5,11-12H2,1-3H3,(H,22,23).
What are the key properties of 3,5-diethoxy-N-(4-phenylbutan-2-yl)benzamide?
3,5-diethoxy-N-(4-phenylbutan-2-yl)benzamide has a molecular weight of 341.45 g/mol, XLogP of 4.24, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethoxy-N-(4-phenylbutan-2-yl)benzamide is sourced from PubChem (CID 46853566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).