N-[(2R)-2-hydroxy-3-(3-methoxyphenoxy)propyl]-3,5-dimethyl-1-benzofuran-2-carboxamide

C21H23NO5 — CID 25464874

IUPACN-[(2R)-2-hydroxy-3-(3-methoxyphenoxy)propyl]-3,5-dimethyl-1-benzofuran-2-carboxamide
SMILESCOc1cccc(OC[C@H](O)CNC(=O)c2oc3ccc(C)cc3c2C)c1
InChIInChI=1S/C21H23NO5/c1-13-7-8-19-18(9-13)14(2)20(27-19)21(24)22-11-15(23)12-26-17-6-4-5-16(10-17)25-3/h4-10,15,23H,11-12H2,1-3H3,(H,22,24)/t15-/m1/s1
InChIKeyHRPKPZNQGRDXAU-OAHLLOKOSA-N
MW369.42 g/mol
LogP3.23
Rot. Bonds7

About N-[(2R)-2-hydroxy-3-(3-methoxyphenoxy)propyl]-3,5-dimethyl-1-benzofuran-2-carboxamide

N-[(2R)-2-hydroxy-3-(3-methoxyphenoxy)propyl]-3,5-dimethyl-1-benzofuran-2-carboxamide (PubChem CID 25464874) has the molecular formula C21H23NO5 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-3-(3-methoxyphenoxy)propyl]-3,5-dimethyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-3-(3-methoxyphenoxy)propyl]-3,5-dimethyl-1-benzofuran-2-carboxamide
PubChem CID25464874
Molecular FormulaC21H23NO5
Molecular Weight369.42 g/mol
Exact Mass369.16
IUPAC NameN-[(2R)-2-hydroxy-3-(3-methoxyphenoxy)propyl]-3,5-dimethyl-1-benzofuran-2-carboxamide
SMILESCOc1cccc(OC[C@H](O)CNC(=O)c2oc3ccc(C)cc3c2C)c1
InChIInChI=1S/C21H23NO5/c1-13-7-8-19-18(9-13)14(2)20(27-19)21(24)22-11-15(23)12-26-17-6-4-5-16(10-17)25-3/h4-10,15,23H,11-12H2,1-3H3,(H,22,24)/t15-/m1/s1
InChIKeyHRPKPZNQGRDXAU-OAHLLOKOSA-N
XLogP3.23
TPSA80.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-hydroxy-3-(3-methylphenoxy)propyl]-2,5-dimethylfuran-3-carboxamide
CID 110904505
N-[(2R)-2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-3,5-dimethyl-1-benzofuran-2-carboxamide
CID 42279228
5-methoxy-3-methyl-N-(3-phenylprop-2-ynyl)-1-benzofuran-2-carboxamide
CID 51332390
N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 52895585
5-methoxy-3-methyl-N'-[2-(4-methylphenoxy)acetyl]-1-benzofuran-2-carbohydrazide
CID 8873473
3-methyl-N-[3-(3-methylphenoxy)propyl]-1-benzofuran-2-carboxamide
CID 27040449
N-[(2R)-2-hydroxy-3-(3-methylphenoxy)propyl]-2-methyl-3-nitrobenzamide
CID 94677634
[(1R)-2-[(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)amino]-1-thiophen-2-ylethyl]-dimethylazanium
CID 8005767
5-methoxy-3-methyl-N'-(4-methylbenzoyl)-1-benzofuran-2-carbohydrazide
CID 8913378
N-(cyclohexylmethyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 2644358
(Z)-but-2-enedioic acid;[5-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methyl-1-benzofuran-2-yl]-(4-methylphenyl)methanone
CID 175339841
N-[2-hydroxy-3-(3-methoxyphenoxy)propyl]-3-(2-phenylethyl)-1,2-oxazole-5-carboxamide
CID 45238522

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-3-(3-methoxyphenoxy)propyl]-3,5-dimethyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(2R)-2-hydroxy-3-(3-methoxyphenoxy)propyl]-3,5-dimethyl-1-benzofuran-2-carboxamide (CID 25464874) is N-[(2R)-2-hydroxy-3-(3-methoxyphenoxy)propyl]-3,5-dimethyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(2R)-2-hydroxy-3-(3-methoxyphenoxy)propyl]-3,5-dimethyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(2R)-2-hydroxy-3-(3-methoxyphenoxy)propyl]-3,5-dimethyl-1-benzofuran-2-carboxamide is COc1cccc(OC[C@H](O)CNC(=O)c2oc3ccc(C)cc3c2C)c1.
What is the InChIKey of N-[(2R)-2-hydroxy-3-(3-methoxyphenoxy)propyl]-3,5-dimethyl-1-benzofuran-2-carboxamide?
The InChIKey is HRPKPZNQGRDXAU-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H23NO5/c1-13-7-8-19-18(9-13)14(2)20(27-19)21(24)22-11-15(23)12-26-17-6-4-5-16(10-17)25-3/h4-10,15,23H,11-12H2,1-3H3,(H,22,24)/t15-/m1/s1.
What are the key properties of N-[(2R)-2-hydroxy-3-(3-methoxyphenoxy)propyl]-3,5-dimethyl-1-benzofuran-2-carboxamide?
N-[(2R)-2-hydroxy-3-(3-methoxyphenoxy)propyl]-3,5-dimethyl-1-benzofuran-2-carboxamide has a molecular weight of 369.42 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxy-3-(3-methoxyphenoxy)propyl]-3,5-dimethyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 25464874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).