3,4-diethoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide

C21H27NO3 — CID 798797

IUPAC3,4-diethoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide
SMILESCCOc1ccc(C(=O)N[C@H](C)CCc2ccccc2)cc1OCC
InChIInChI=1S/C21H27NO3/c1-4-24-19-14-13-18(15-20(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)/t16-/m1/s1
InChIKeyJBCOUUCDWAITQK-MRXNPFEDSA-N
MW341.45 g/mol
LogP4.24
Rot. Bonds9

About 3,4-diethoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide

3,4-diethoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide (PubChem CID 798797) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is 3,4-diethoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide.

Molecular Properties

Compound Name3,4-diethoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide
PubChem CID798797
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC Name3,4-diethoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide
SMILESCCOc1ccc(C(=O)N[C@H](C)CCc2ccccc2)cc1OCC
InChIInChI=1S/C21H27NO3/c1-4-24-19-14-13-18(15-20(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)/t16-/m1/s1
InChIKeyJBCOUUCDWAITQK-MRXNPFEDSA-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

4-ethoxy-3-methoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 1243127
3,5-diethoxy-N-(4-phenylbutan-2-yl)benzamide
CID 46853566
4-ethoxy-3-[(3-methoxyphenoxy)methyl]-N-(4-phenylbutan-2-yl)benzamide
CID 133254130
3,4-diethoxy-N-(1-hydroxypropan-2-yl)benzamide
CID 43418840
5-bromo-2-ethoxy-N-(4-phenylbutan-2-yl)benzamide
CID 2947744
3,4-diethoxy-N-(1-phenylethyl)benzamide
CID 3369950
3,4-diethoxy-N-[(2S)-4-methylpentan-2-yl]benzamide
CID 59910538
3,4-dimethyl-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 903724
4-methoxy-3-(phenoxymethyl)-N-(4-phenylbutan-2-yl)benzamide
CID 133149991
3-bromo-N-(4-phenylbutan-2-yl)benzamide
CID 2900387
3-bromo-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 880257
N-(1-cyanopropan-2-yl)-3,4-diethoxybenzamide
CID 47087147

Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide?
The IUPAC name of 3,4-diethoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide (CID 798797) is 3,4-diethoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide.
What is the SMILES notation for 3,4-diethoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide?
The canonical SMILES for 3,4-diethoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide is CCOc1ccc(C(=O)N[C@H](C)CCc2ccccc2)cc1OCC.
What is the InChIKey of 3,4-diethoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide?
The InChIKey is JBCOUUCDWAITQK-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H27NO3/c1-4-24-19-14-13-18(15-20(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)/t16-/m1/s1.
What are the key properties of 3,4-diethoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide?
3,4-diethoxy-N-[(2R)-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 3,4-diethoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide is sourced from PubChem (CID 798797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).