N-[(2S)-2-(1-benzofuran-2-yl)-2-methoxyethyl]cyclopropanecarboxamide

C15H17NO3 — CID 129356177

IUPACN-[(2S)-2-(1-benzofuran-2-yl)-2-methoxyethyl]cyclopropanecarboxamide
SMILESCO[C@@H](CNC(=O)C1CC1)c1cc2ccccc2o1
InChIInChI=1S/C15H17NO3/c1-18-14(9-16-15(17)10-6-7-10)13-8-11-4-2-3-5-12(11)19-13/h2-5,8,10,14H,6-7,9H2,1H3,(H,16,17)/t14-/m0/s1
InChIKeyCCLAGSCFFLKETC-AWEZNQCLSA-N
MW259.31 g/mol
LogP2.65
Rot. Bonds5

About N-[(2S)-2-(1-benzofuran-2-yl)-2-methoxyethyl]cyclopropanecarboxamide

N-[(2S)-2-(1-benzofuran-2-yl)-2-methoxyethyl]cyclopropanecarboxamide (PubChem CID 129356177) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-[(2S)-2-(1-benzofuran-2-yl)-2-methoxyethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(1-benzofuran-2-yl)-2-methoxyethyl]cyclopropanecarboxamide
PubChem CID129356177
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC NameN-[(2S)-2-(1-benzofuran-2-yl)-2-methoxyethyl]cyclopropanecarboxamide
SMILESCO[C@@H](CNC(=O)C1CC1)c1cc2ccccc2o1
InChIInChI=1S/C15H17NO3/c1-18-14(9-16-15(17)10-6-7-10)13-8-11-4-2-3-5-12(11)19-13/h2-5,8,10,14H,6-7,9H2,1H3,(H,16,17)/t14-/m0/s1
InChIKeyCCLAGSCFFLKETC-AWEZNQCLSA-N
XLogP2.65
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-adamantyl)-3-[(2S)-2-(1-benzofuran-2-yl)-2-methoxyethyl]urea
CID 124727341
N-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-5-chlorothiophene-2-carboxamide
CID 124892530
(2R)-N-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-2-phenylbutanamide
CID 124891805
N-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-1,3-benzodioxole-5-carboxamide
CID 124727869
N-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-2-chloro-6-fluorobenzamide
CID 124761461
N'-[2-(1-benzofuran-2-yl)-2-methoxyethyl]-N-[(4-fluorophenyl)methyl]oxamide
CID 119104126
N-[(2S)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-2-(2-chloro-6-fluorophenyl)acetamide
CID 124892921
N-[2-(1-benzofuran-2-yl)-2-methoxyethyl]-1,3-benzothiazole-2-carboxamide
CID 119104098
1-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 124892212
N-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]ethanesulfonamide
CID 124891766
N-[(2S)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 124892579
N-[2-(1-benzofuran-2-yl)-2-methoxyethyl]-2-(4-chlorophenoxy)-2-methylpropanamide
CID 121021275

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(1-benzofuran-2-yl)-2-methoxyethyl]cyclopropanecarboxamide?
The IUPAC name of N-[(2S)-2-(1-benzofuran-2-yl)-2-methoxyethyl]cyclopropanecarboxamide (CID 129356177) is N-[(2S)-2-(1-benzofuran-2-yl)-2-methoxyethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(2S)-2-(1-benzofuran-2-yl)-2-methoxyethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(2S)-2-(1-benzofuran-2-yl)-2-methoxyethyl]cyclopropanecarboxamide is CO[C@@H](CNC(=O)C1CC1)c1cc2ccccc2o1.
What is the InChIKey of N-[(2S)-2-(1-benzofuran-2-yl)-2-methoxyethyl]cyclopropanecarboxamide?
The InChIKey is CCLAGSCFFLKETC-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H17NO3/c1-18-14(9-16-15(17)10-6-7-10)13-8-11-4-2-3-5-12(11)19-13/h2-5,8,10,14H,6-7,9H2,1H3,(H,16,17)/t14-/m0/s1.
What are the key properties of N-[(2S)-2-(1-benzofuran-2-yl)-2-methoxyethyl]cyclopropanecarboxamide?
N-[(2S)-2-(1-benzofuran-2-yl)-2-methoxyethyl]cyclopropanecarboxamide has a molecular weight of 259.31 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(1-benzofuran-2-yl)-2-methoxyethyl]cyclopropanecarboxamide is sourced from PubChem (CID 129356177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).