3-(methoxymethyl)-N-[(2S)-2-phenylpropyl]-1-benzofuran-2-carboxamide

C20H21NO3 — CID 9089939

IUPAC3-(methoxymethyl)-N-[(2S)-2-phenylpropyl]-1-benzofuran-2-carboxamide
SMILESCOCc1c(C(=O)NC[C@@H](C)c2ccccc2)oc2ccccc12
InChIInChI=1S/C20H21NO3/c1-14(15-8-4-3-5-9-15)12-21-20(22)19-17(13-23-2)16-10-6-7-11-18(16)24-19/h3-11,14H,12-13H2,1-2H3,(H,21,22)/t14-/m1/s1
InChIKeyJWROFORGVLDHGA-CQSZACIVSA-N
MW323.39 g/mol
LogP4.11
Rot. Bonds6

About 3-(methoxymethyl)-N-[(2S)-2-phenylpropyl]-1-benzofuran-2-carboxamide

3-(methoxymethyl)-N-[(2S)-2-phenylpropyl]-1-benzofuran-2-carboxamide (PubChem CID 9089939) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is 3-(methoxymethyl)-N-[(2S)-2-phenylpropyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-(methoxymethyl)-N-[(2S)-2-phenylpropyl]-1-benzofuran-2-carboxamide
PubChem CID9089939
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name3-(methoxymethyl)-N-[(2S)-2-phenylpropyl]-1-benzofuran-2-carboxamide
SMILESCOCc1c(C(=O)NC[C@@H](C)c2ccccc2)oc2ccccc12
InChIInChI=1S/C20H21NO3/c1-14(15-8-4-3-5-9-15)12-21-20(22)19-17(13-23-2)16-10-6-7-11-18(16)24-19/h3-11,14H,12-13H2,1-2H3,(H,21,22)/t14-/m1/s1
InChIKeyJWROFORGVLDHGA-CQSZACIVSA-N
XLogP4.11
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 ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)-2-phenylethyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 51153654
N-(2-methoxyethyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 9205135
N-[(4-fluorophenyl)methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 2603906
N-tert-butyl-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 8779973
3-(methoxymethyl)-N-(1-pyridin-4-ylethyl)-1-benzofuran-2-carboxamide
CID 51148702
[1-(benzylamino)-1-oxopropan-2-yl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate
CID 18078133
N-(4-anilinophenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 55370282
[4-[[[3-(methoxymethyl)-1-benzofuran-2-carbonyl]amino]methyl]phenyl]methyl-dimethylazanium
CID 8533387
3-(methoxymethyl)-N-(1-naphthalen-2-ylethyl)-1-benzofuran-2-carboxamide
CID 55335651
[(2S)-1-oxo-1-(propylamino)propan-2-yl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate
CID 8955163
3-(methoxymethyl)-N-naphthalen-1-yl-1-benzofuran-2-carboxamide
CID 7734068
3-(methoxymethyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-1-benzofuran-2-carboxamide
CID 51151164

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-N-[(2S)-2-phenylpropyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 3-(methoxymethyl)-N-[(2S)-2-phenylpropyl]-1-benzofuran-2-carboxamide (CID 9089939) is 3-(methoxymethyl)-N-[(2S)-2-phenylpropyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-(methoxymethyl)-N-[(2S)-2-phenylpropyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-(methoxymethyl)-N-[(2S)-2-phenylpropyl]-1-benzofuran-2-carboxamide is COCc1c(C(=O)NC[C@@H](C)c2ccccc2)oc2ccccc12.
What is the InChIKey of 3-(methoxymethyl)-N-[(2S)-2-phenylpropyl]-1-benzofuran-2-carboxamide?
The InChIKey is JWROFORGVLDHGA-CQSZACIVSA-N. The full InChI is InChI=1S/C20H21NO3/c1-14(15-8-4-3-5-9-15)12-21-20(22)19-17(13-23-2)16-10-6-7-11-18(16)24-19/h3-11,14H,12-13H2,1-2H3,(H,21,22)/t14-/m1/s1.
What are the key properties of 3-(methoxymethyl)-N-[(2S)-2-phenylpropyl]-1-benzofuran-2-carboxamide?
3-(methoxymethyl)-N-[(2S)-2-phenylpropyl]-1-benzofuran-2-carboxamide has a molecular weight of 323.39 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-N-[(2S)-2-phenylpropyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 9089939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).