3-(methoxymethyl)-N-(1-naphthalen-2-ylethyl)-1-benzofuran-2-carboxamide

C23H21NO3 — CID 55335651

IUPAC3-(methoxymethyl)-N-(1-naphthalen-2-ylethyl)-1-benzofuran-2-carboxamide
SMILESCOCc1c(C(=O)NC(C)c2ccc3ccccc3c2)oc2ccccc12
InChIInChI=1S/C23H21NO3/c1-15(17-12-11-16-7-3-4-8-18(16)13-17)24-23(25)22-20(14-26-2)19-9-5-6-10-21(19)27-22/h3-13,15H,14H2,1-2H3,(H,24,25)
InChIKeyPDMIMSSJYAKMCH-UHFFFAOYSA-N
MW359.43 g/mol
LogP5.22
Rot. Bonds5

About 3-(methoxymethyl)-N-(1-naphthalen-2-ylethyl)-1-benzofuran-2-carboxamide

3-(methoxymethyl)-N-(1-naphthalen-2-ylethyl)-1-benzofuran-2-carboxamide (PubChem CID 55335651) has the molecular formula C23H21NO3 and a molecular weight of 359.43 g/mol. Its IUPAC name is 3-(methoxymethyl)-N-(1-naphthalen-2-ylethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-(methoxymethyl)-N-(1-naphthalen-2-ylethyl)-1-benzofuran-2-carboxamide
PubChem CID55335651
Molecular FormulaC23H21NO3
Molecular Weight359.43 g/mol
Exact Mass359.15
IUPAC Name3-(methoxymethyl)-N-(1-naphthalen-2-ylethyl)-1-benzofuran-2-carboxamide
SMILESCOCc1c(C(=O)NC(C)c2ccc3ccccc3c2)oc2ccccc12
InChIInChI=1S/C23H21NO3/c1-15(17-12-11-16-7-3-4-8-18(16)13-17)24-23(25)22-20(14-26-2)19-9-5-6-10-21(19)27-22/h3-13,15H,14H2,1-2H3,(H,24,25)
InChIKeyPDMIMSSJYAKMCH-UHFFFAOYSA-N
XLogP5.22
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.43
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(methoxymethyl)-N-(1-pyridin-4-ylethyl)-1-benzofuran-2-carboxamide
CID 51148702
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 55447523
3-(methoxymethyl)-N-[(2S)-2-phenylpropyl]-1-benzofuran-2-carboxamide
CID 9089939
(2S)-2-[[3-(methoxymethyl)-1-benzofuran-2-carbonyl]amino]-4-methylpentanoic acid
CID 119360844
N-tert-butyl-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 8779973
3-(methoxymethyl)-N-naphthalen-1-yl-1-benzofuran-2-carboxamide
CID 7734068
[(2R)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate
CID 7551445
[(2S)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate
CID 7551442
3-(phenoxymethyl)-N-propan-2-yl-1-benzofuran-2-carboxamide
CID 7661645
N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 55434229
N-(2-methoxyethyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 9205135
N-[2-(dimethylamino)-2-phenylethyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 51153654

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-N-(1-naphthalen-2-ylethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 3-(methoxymethyl)-N-(1-naphthalen-2-ylethyl)-1-benzofuran-2-carboxamide (CID 55335651) is 3-(methoxymethyl)-N-(1-naphthalen-2-ylethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-(methoxymethyl)-N-(1-naphthalen-2-ylethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-(methoxymethyl)-N-(1-naphthalen-2-ylethyl)-1-benzofuran-2-carboxamide is COCc1c(C(=O)NC(C)c2ccc3ccccc3c2)oc2ccccc12.
What is the InChIKey of 3-(methoxymethyl)-N-(1-naphthalen-2-ylethyl)-1-benzofuran-2-carboxamide?
The InChIKey is PDMIMSSJYAKMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO3/c1-15(17-12-11-16-7-3-4-8-18(16)13-17)24-23(25)22-20(14-26-2)19-9-5-6-10-21(19)27-22/h3-13,15H,14H2,1-2H3,(H,24,25).
What are the key properties of 3-(methoxymethyl)-N-(1-naphthalen-2-ylethyl)-1-benzofuran-2-carboxamide?
3-(methoxymethyl)-N-(1-naphthalen-2-ylethyl)-1-benzofuran-2-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 5.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-N-(1-naphthalen-2-ylethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 55335651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).