N-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-1,3-benzodioxole-5-carboxamide

C19H17NO5 — CID 124727869

IUPACN-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-1,3-benzodioxole-5-carboxamide
SMILESCO[C@H](CNC(=O)c1ccc2c(c1)OCO2)c1cc2ccccc2o1
InChIInChI=1S/C19H17NO5/c1-22-18(17-8-12-4-2-3-5-14(12)25-17)10-20-19(21)13-6-7-15-16(9-13)24-11-23-15/h2-9,18H,10-11H2,1H3,(H,20,21)/t18-/m1/s1
InChIKeyUPJCIFYLJXPGEP-GOSISDBHSA-N
MW339.35 g/mol
LogP3.28
Rot. Bonds5

About N-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-1,3-benzodioxole-5-carboxamide

N-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 124727869) has the molecular formula C19H17NO5 and a molecular weight of 339.35 g/mol. Its IUPAC name is N-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-1,3-benzodioxole-5-carboxamide
PubChem CID124727869
Molecular FormulaC19H17NO5
Molecular Weight339.35 g/mol
Exact Mass339.11
IUPAC NameN-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-1,3-benzodioxole-5-carboxamide
SMILESCO[C@H](CNC(=O)c1ccc2c(c1)OCO2)c1cc2ccccc2o1
InChIInChI=1S/C19H17NO5/c1-22-18(17-8-12-4-2-3-5-14(12)25-17)10-20-19(21)13-6-7-15-16(9-13)24-11-23-15/h2-9,18H,10-11H2,1H3,(H,20,21)/t18-/m1/s1
InChIKeyUPJCIFYLJXPGEP-GOSISDBHSA-N
XLogP3.28
TPSA69.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1,3-benzodioxole-5-carboxamide
CID 91630969
N-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-5-chlorothiophene-2-carboxamide
CID 124892530
N-[(2S)-2-(1-benzofuran-2-yl)-2-methoxyethyl]cyclopropanecarboxamide
CID 129356177
N-[3-(4-methoxyphenyl)-2-phenylpropyl]-1,3-benzodioxole-5-carboxamide
CID 110288459
N-(2-bromo-3-methoxypropyl)-1,3-benzodioxole-5-carboxamide
CID 114309908
N-(2-hydroxy-4-methylpentyl)-1,3-benzodioxole-5-carboxamide
CID 103771408
N-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-2-chloro-6-fluorobenzamide
CID 124761461
N'-(1,3-benzodioxole-5-carbonyl)-2-oxochromene-3-carbohydrazide
CID 4686766
methyl 2-(1,3-benzodioxole-5-carbonylamino)acetate;hydrochloride
CID 139769422
N-[(2S)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-2-(2-chloro-6-fluorophenyl)acetamide
CID 124892921
2-[(1,3-benzodioxole-5-carbonylamino)methyl]-3-methylbutanoic acid
CID 65220302
2-[(1,3-benzodioxole-5-carbonylamino)methyl]butanoic acid
CID 65217974

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-1,3-benzodioxole-5-carboxamide (CID 124727869) is N-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-1,3-benzodioxole-5-carboxamide is CO[C@H](CNC(=O)c1ccc2c(c1)OCO2)c1cc2ccccc2o1.
What is the InChIKey of N-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is UPJCIFYLJXPGEP-GOSISDBHSA-N. The full InChI is InChI=1S/C19H17NO5/c1-22-18(17-8-12-4-2-3-5-14(12)25-17)10-20-19(21)13-6-7-15-16(9-13)24-11-23-15/h2-9,18H,10-11H2,1H3,(H,20,21)/t18-/m1/s1.
What are the key properties of N-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-1,3-benzodioxole-5-carboxamide?
N-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 339.35 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 124727869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).