N-[(2R)-1-(1-benzofuran-2-yl)propan-2-yl]-3-(4-methoxyphenyl)propanamide

C21H23NO3 — CID 124759090

IUPACN-[(2R)-1-(1-benzofuran-2-yl)propan-2-yl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)N[C@H](C)Cc2cc3ccccc3o2)cc1
InChIInChI=1S/C21H23NO3/c1-15(13-19-14-17-5-3-4-6-20(17)25-19)22-21(23)12-9-16-7-10-18(24-2)11-8-16/h3-8,10-11,14-15H,9,12-13H2,1-2H3,(H,22,23)/t15-/m1/s1
InChIKeyAVHRWXFDQWOCOK-OAHLLOKOSA-N
MW337.42 g/mol
LogP4.12
Rot. Bonds7

About N-[(2R)-1-(1-benzofuran-2-yl)propan-2-yl]-3-(4-methoxyphenyl)propanamide

N-[(2R)-1-(1-benzofuran-2-yl)propan-2-yl]-3-(4-methoxyphenyl)propanamide (PubChem CID 124759090) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[(2R)-1-(1-benzofuran-2-yl)propan-2-yl]-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[(2R)-1-(1-benzofuran-2-yl)propan-2-yl]-3-(4-methoxyphenyl)propanamide
PubChem CID124759090
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC NameN-[(2R)-1-(1-benzofuran-2-yl)propan-2-yl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)N[C@H](C)Cc2cc3ccccc3o2)cc1
InChIInChI=1S/C21H23NO3/c1-15(13-19-14-17-5-3-4-6-20(17)25-19)22-21(23)12-9-16-7-10-18(24-2)11-8-16/h3-8,10-11,14-15H,9,12-13H2,1-2H3,(H,22,23)/t15-/m1/s1
InChIKeyAVHRWXFDQWOCOK-OAHLLOKOSA-N
XLogP4.12
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 ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1-benzofuran-2-yl)propan-2-yl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 119104171
N-[1-(1-benzofuran-2-yl)propan-2-yl]-2-(4-methoxyphenyl)ethanesulfonamide
CID 119104185
N-[1-(1-benzofuran-2-yl)propan-2-yl]-3-(2-fluorophenyl)propanamide
CID 121021346
N-[(2R)-1-(1-benzofuran-2-yl)propan-2-yl]-2-methoxyacetamide
CID 129354527
N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-2-bromo-5-methoxybenzamide
CID 124725331
N-butan-2-yl-3-(4-methoxyphenyl)propanamide
CID 4681975
N-(1-benzofuran-2-ylmethyl)-3-(4-methoxyphenyl)-N-methylpropanamide
CID 110732927
N-[(2S)-1-(furan-3-yl)propan-2-yl]-3-(4-methoxyphenyl)propanamide
CID 97030226
(2S)-3-(1-benzofuran-2-yl)-N-benzyl-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
CID 147411654
3-(4-methoxyphenyl)-N-[(2R)-1-phenoxypropan-2-yl]propanamide
CID 94625030
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(4-methoxyphenyl)acetamide
CID 9366106
N-(4-aminobutan-2-yl)-3-(4-methoxyphenyl)propanamide
CID 62093484

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(1-benzofuran-2-yl)propan-2-yl]-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-[(2R)-1-(1-benzofuran-2-yl)propan-2-yl]-3-(4-methoxyphenyl)propanamide (CID 124759090) is N-[(2R)-1-(1-benzofuran-2-yl)propan-2-yl]-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-[(2R)-1-(1-benzofuran-2-yl)propan-2-yl]-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-[(2R)-1-(1-benzofuran-2-yl)propan-2-yl]-3-(4-methoxyphenyl)propanamide is COc1ccc(CCC(=O)N[C@H](C)Cc2cc3ccccc3o2)cc1.
What is the InChIKey of N-[(2R)-1-(1-benzofuran-2-yl)propan-2-yl]-3-(4-methoxyphenyl)propanamide?
The InChIKey is AVHRWXFDQWOCOK-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H23NO3/c1-15(13-19-14-17-5-3-4-6-20(17)25-19)22-21(23)12-9-16-7-10-18(24-2)11-8-16/h3-8,10-11,14-15H,9,12-13H2,1-2H3,(H,22,23)/t15-/m1/s1.
What are the key properties of N-[(2R)-1-(1-benzofuran-2-yl)propan-2-yl]-3-(4-methoxyphenyl)propanamide?
N-[(2R)-1-(1-benzofuran-2-yl)propan-2-yl]-3-(4-methoxyphenyl)propanamide has a molecular weight of 337.42 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(1-benzofuran-2-yl)propan-2-yl]-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 124759090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).