(2R)-N-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-2-phenylbutanamide

C21H23NO3 — CID 124891805

IUPAC(2R)-N-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-2-phenylbutanamide
SMILESCC[C@@H](C(=O)NC[C@@H](OC)c1cc2ccccc2o1)c1ccccc1
InChIInChI=1S/C21H23NO3/c1-3-17(15-9-5-4-6-10-15)21(23)22-14-20(24-2)19-13-16-11-7-8-12-18(16)25-19/h4-13,17,20H,3,14H2,1-2H3,(H,22,23)/t17-,20-/m1/s1
InChIKeyGSMVVIURQNOOSA-YLJYHZDGSA-N
MW337.42 g/mol
LogP4.43
Rot. Bonds7

About (2R)-N-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-2-phenylbutanamide

(2R)-N-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-2-phenylbutanamide (PubChem CID 124891805) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is (2R)-N-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-2-phenylbutanamide.

Molecular Properties

Compound Name(2R)-N-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-2-phenylbutanamide
PubChem CID124891805
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC Name(2R)-N-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-2-phenylbutanamide
SMILESCC[C@@H](C(=O)NC[C@@H](OC)c1cc2ccccc2o1)c1ccccc1
InChIInChI=1S/C21H23NO3/c1-3-17(15-9-5-4-6-10-15)21(23)22-14-20(24-2)19-13-16-11-7-8-12-18(16)25-19/h4-13,17,20H,3,14H2,1-2H3,(H,22,23)/t17-,20-/m1/s1
InChIKeyGSMVVIURQNOOSA-YLJYHZDGSA-N
XLogP4.43
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-(1-benzofuran-2-yl)-2-methoxyethyl]cyclopropanecarboxamide
CID 129356177
N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-phenylbutanamide
CID 121180109
N-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]ethanesulfonamide
CID 124891766
N-[2-(1-benzofuran-2-yl)-2-methoxyethyl]-1,3-benzothiazole-2-carboxamide
CID 119104098
N-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-5-chlorothiophene-2-carboxamide
CID 124892530
N'-[2-(1-benzofuran-2-yl)-2-methoxyethyl]-N-[(4-fluorophenyl)methyl]oxamide
CID 119104126
N-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-1,3-benzodioxole-5-carboxamide
CID 124727869
N-[2-(1-benzofuran-2-yl)-2-methoxyethyl]-N'-(2-methoxy-5-methylphenyl)oxamide
CID 121021294
1-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-3-(5-chloro-2-methoxyphenyl)urea
CID 129357962
N-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-2-chloro-6-fluorobenzamide
CID 124761461
1-(1-adamantyl)-3-[(2S)-2-(1-benzofuran-2-yl)-2-methoxyethyl]urea
CID 124727341
1-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 124892212

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-2-phenylbutanamide?
The IUPAC name of (2R)-N-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-2-phenylbutanamide (CID 124891805) is (2R)-N-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-2-phenylbutanamide.
What is the SMILES notation for (2R)-N-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-2-phenylbutanamide?
The canonical SMILES for (2R)-N-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-2-phenylbutanamide is CC[C@@H](C(=O)NC[C@@H](OC)c1cc2ccccc2o1)c1ccccc1.
What is the InChIKey of (2R)-N-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-2-phenylbutanamide?
The InChIKey is GSMVVIURQNOOSA-YLJYHZDGSA-N. The full InChI is InChI=1S/C21H23NO3/c1-3-17(15-9-5-4-6-10-15)21(23)22-14-20(24-2)19-13-16-11-7-8-12-18(16)25-19/h4-13,17,20H,3,14H2,1-2H3,(H,22,23)/t17-,20-/m1/s1.
What are the key properties of (2R)-N-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-2-phenylbutanamide?
(2R)-N-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-2-phenylbutanamide has a molecular weight of 337.42 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-2-phenylbutanamide is sourced from PubChem (CID 124891805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).