N-[(2R)-1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propan-2-yl]-4-ethoxybenzamide

C26H27NO5 — CID 92865458

IUPACN-[(2R)-1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propan-2-yl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)N[C@H](Cc2ccc(OC)cc2)Cc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C26H27NO5/c1-3-30-23-11-7-20(8-12-23)26(28)27-21(14-18-4-9-22(29-2)10-5-18)15-19-6-13-24-25(16-19)32-17-31-24/h4-13,16,21H,3,14-15,17H2,1-2H3,(H,27,28)/t21-/m1/s1
InChIKeyRSICAPNDDAWAMB-OAQYLSRUSA-N
MW433.50 g/mol
LogP4.41
Rot. Bonds9

About N-[(2R)-1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propan-2-yl]-4-ethoxybenzamide

N-[(2R)-1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propan-2-yl]-4-ethoxybenzamide (PubChem CID 92865458) has the molecular formula C26H27NO5 and a molecular weight of 433.50 g/mol. Its IUPAC name is N-[(2R)-1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propan-2-yl]-4-ethoxybenzamide.

Molecular Properties

Compound NameN-[(2R)-1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propan-2-yl]-4-ethoxybenzamide
PubChem CID92865458
Molecular FormulaC26H27NO5
Molecular Weight433.50 g/mol
Exact Mass433.19
IUPAC NameN-[(2R)-1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propan-2-yl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)N[C@H](Cc2ccc(OC)cc2)Cc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C26H27NO5/c1-3-30-23-11-7-20(8-12-23)26(28)27-21(14-18-4-9-22(29-2)10-5-18)15-19-6-13-24-25(16-19)32-17-31-24/h4-13,16,21H,3,14-15,17H2,1-2H3,(H,27,28)/t21-/m1/s1
InChIKeyRSICAPNDDAWAMB-OAQYLSRUSA-N
XLogP4.41
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.50
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propan-2-yl]-4-chlorobenzamide
CID 92865420
4-acetamido-N-[1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propan-2-yl]benzamide
CID 46286319
N-[1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propan-2-yl]-3-(dimethylamino)benzamide
CID 46286295
1-[(2S)-1-(1,3-benzodioxol-5-yl)-3-phenylpropan-2-yl]-3-(4-ethoxyphenyl)urea
CID 92865359
N-[(2S)-1-(1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)propan-2-yl]-4-methylbenzamide
CID 92865487
N-[1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propan-2-yl]cyclohexanecarboxamide
CID 46286311
N-[1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propan-2-yl]-2-oxochromene-3-carboxamide
CID 20930276
1-(1,3-benzodioxol-5-yl)propan-2-yl 4-methoxybenzoate
CID 23250623
N-[1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propan-2-yl]-2-phenylsulfanylacetamide
CID 46286318
1-[1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propan-2-yl]-3-(2,3-dimethylphenyl)urea
CID 46286139
methyl 2-[[(2R)-1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propan-2-yl]carbamoylamino]benzoate
CID 92865236
1,3-benzodioxol-5-yl 2-[(4-ethoxybenzoyl)amino]-3-methylbutanoate
CID 3539693

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propan-2-yl]-4-ethoxybenzamide?
The IUPAC name of N-[(2R)-1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propan-2-yl]-4-ethoxybenzamide (CID 92865458) is N-[(2R)-1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propan-2-yl]-4-ethoxybenzamide.
What is the SMILES notation for N-[(2R)-1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propan-2-yl]-4-ethoxybenzamide?
The canonical SMILES for N-[(2R)-1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propan-2-yl]-4-ethoxybenzamide is CCOc1ccc(C(=O)N[C@H](Cc2ccc(OC)cc2)Cc2ccc3c(c2)OCO3)cc1.
What is the InChIKey of N-[(2R)-1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propan-2-yl]-4-ethoxybenzamide?
The InChIKey is RSICAPNDDAWAMB-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H27NO5/c1-3-30-23-11-7-20(8-12-23)26(28)27-21(14-18-4-9-22(29-2)10-5-18)15-19-6-13-24-25(16-19)32-17-31-24/h4-13,16,21H,3,14-15,17H2,1-2H3,(H,27,28)/t21-/m1/s1.
What are the key properties of N-[(2R)-1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propan-2-yl]-4-ethoxybenzamide?
N-[(2R)-1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propan-2-yl]-4-ethoxybenzamide has a molecular weight of 433.50 g/mol, XLogP of 4.41, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propan-2-yl]-4-ethoxybenzamide is sourced from PubChem (CID 92865458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).