(2R)-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-methoxy-2-phenylacetamide

C18H19NO4 — CID 94878697

IUPAC(2R)-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-methoxy-2-phenylacetamide
SMILESCO[C@@H](C(=O)NCCc1ccc2c(c1)OCO2)c1ccccc1
InChIInChI=1S/C18H19NO4/c1-21-17(14-5-3-2-4-6-14)18(20)19-10-9-13-7-8-15-16(11-13)23-12-22-15/h2-8,11,17H,9-10,12H2,1H3,(H,19,20)/t17-/m1/s1
InChIKeyOUEPDLLUXSCRCC-QGZVFWFLSA-N
MW313.35 g/mol
LogP2.46
Rot. Bonds6

About (2R)-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-methoxy-2-phenylacetamide

(2R)-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-methoxy-2-phenylacetamide (PubChem CID 94878697) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is (2R)-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-methoxy-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-methoxy-2-phenylacetamide
PubChem CID94878697
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name(2R)-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-methoxy-2-phenylacetamide
SMILESCO[C@@H](C(=O)NCCc1ccc2c(c1)OCO2)c1ccccc1
InChIInChI=1S/C18H19NO4/c1-21-17(14-5-3-2-4-6-14)18(20)19-10-9-13-7-8-15-16(11-13)23-12-22-15/h2-8,11,17H,9-10,12H2,1H3,(H,19,20)/t17-/m1/s1
InChIKeyOUEPDLLUXSCRCC-QGZVFWFLSA-N
XLogP2.46
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[(2-methoxy-2-phenylacetyl)amino]ethyl]benzoic acid
CID 119038942
methyl 2-[2-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoacetate
CID 14564794
N-[1-[2-(1,3-benzodioxol-5-yl)ethylamino]-1-oxopropan-2-yl]benzamide
CID 18159582
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2,2,2-triphenylacetamide
CID 11774905
2-amino-N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-methylbutanamide
CID 68690999
(2R)-N-[2-(4-acetamidophenyl)ethyl]-2-methoxy-2-phenylacetamide
CID 95316508
N'-[2-(1,3-benzodioxol-5-yl)ethyl]-2-methylpropanediamide
CID 173077983
3-amino-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-methylpropanamide
CID 115153791
methyl 2-(1,3-benzodioxol-5-ylmethylamino)-2-phenylacetate
CID 82344699
methyl (2R)-2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-2-phenylacetate
CID 95152788
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(carbamoylamino)propanamide
CID 18159601
N-(1,3-benzodioxol-5-ylmethyl)-2-phenyl-2-phenylsulfanylacetamide
CID 2904025

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-methoxy-2-phenylacetamide?
The IUPAC name of (2R)-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-methoxy-2-phenylacetamide (CID 94878697) is (2R)-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-methoxy-2-phenylacetamide.
What is the SMILES notation for (2R)-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-methoxy-2-phenylacetamide?
The canonical SMILES for (2R)-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-methoxy-2-phenylacetamide is CO[C@@H](C(=O)NCCc1ccc2c(c1)OCO2)c1ccccc1.
What is the InChIKey of (2R)-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-methoxy-2-phenylacetamide?
The InChIKey is OUEPDLLUXSCRCC-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H19NO4/c1-21-17(14-5-3-2-4-6-14)18(20)19-10-9-13-7-8-15-16(11-13)23-12-22-15/h2-8,11,17H,9-10,12H2,1H3,(H,19,20)/t17-/m1/s1.
What are the key properties of (2R)-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-methoxy-2-phenylacetamide?
(2R)-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-methoxy-2-phenylacetamide has a molecular weight of 313.35 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-methoxy-2-phenylacetamide is sourced from PubChem (CID 94878697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).