N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(2-methylphenoxy)propanamide

C20H21NO3 — CID 9366932

IUPACN-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(2-methylphenoxy)propanamide
SMILESCc1ccccc1OCCC(=O)N[C@H](C)c1cc2ccccc2o1
InChIInChI=1S/C20H21NO3/c1-14-7-3-5-9-17(14)23-12-11-20(22)21-15(2)19-13-16-8-4-6-10-18(16)24-19/h3-10,13,15H,11-12H2,1-2H3,(H,21,22)/t15-/m1/s1
InChIKeyDYWMAIDNRUPBJS-OAHLLOKOSA-N
MW323.39 g/mol
LogP4.39
Rot. Bonds6

About N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(2-methylphenoxy)propanamide

N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(2-methylphenoxy)propanamide (PubChem CID 9366932) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(2-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(2-methylphenoxy)propanamide
PubChem CID9366932
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC NameN-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(2-methylphenoxy)propanamide
SMILESCc1ccccc1OCCC(=O)N[C@H](C)c1cc2ccccc2o1
InChIInChI=1S/C20H21NO3/c1-14-7-3-5-9-17(14)23-12-11-20(22)21-15(2)19-13-16-8-4-6-10-18(16)24-19/h3-10,13,15H,11-12H2,1-2H3,(H,21,22)/t15-/m1/s1
InChIKeyDYWMAIDNRUPBJS-OAHLLOKOSA-N
XLogP4.39
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1-benzofuran-2-yl)ethyl]pentanamide
CID 78811344
1-[1-(1-benzofuran-2-yl)ethyl]-1-methyl-3-[2-(2-methylphenoxy)ethyl]urea
CID 55930468
N-[1-(1-benzofuran-2-yl)ethyl]-3-(propan-2-ylamino)propanamide
CID 60854523
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-phenylsulfanylpropanamide
CID 9366374
N-[1-(1-benzofuran-2-yl)ethyl]-3-(furan-2-yl)propanamide
CID 51206809
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(4-fluorophenyl)sulfanylpropanamide
CID 9367760
N-[1-(1-benzofuran-2-yl)ethyl]-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 42926696
N-[(2R)-1-hydroxypropan-2-yl]-3-(2-methylphenoxy)propanamide
CID 79027770
7-amino-N-[1-(1-benzofuran-2-yl)ethyl]heptanamide
CID 43708933
N-[(1S)-1-(4-chlorophenyl)ethyl]-3-(2-methylphenoxy)propanamide
CID 9218369
3-amino-N-[1-(1-benzofuran-2-yl)ethyl]butanamide
CID 60836169
methyl 2-[3-(2-methylphenoxy)propanoylamino]propanoate
CID 60638161

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(2-methylphenoxy)propanamide?
The IUPAC name of N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(2-methylphenoxy)propanamide (CID 9366932) is N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(2-methylphenoxy)propanamide.
What is the SMILES notation for N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(2-methylphenoxy)propanamide?
The canonical SMILES for N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(2-methylphenoxy)propanamide is Cc1ccccc1OCCC(=O)N[C@H](C)c1cc2ccccc2o1.
What is the InChIKey of N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(2-methylphenoxy)propanamide?
The InChIKey is DYWMAIDNRUPBJS-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H21NO3/c1-14-7-3-5-9-17(14)23-12-11-20(22)21-15(2)19-13-16-8-4-6-10-18(16)24-19/h3-10,13,15H,11-12H2,1-2H3,(H,21,22)/t15-/m1/s1.
What are the key properties of N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(2-methylphenoxy)propanamide?
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(2-methylphenoxy)propanamide has a molecular weight of 323.39 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(2-methylphenoxy)propanamide is sourced from PubChem (CID 9366932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).