3-(methoxymethyl)-N-(1-pyridin-4-ylethyl)-1-benzofuran-2-carboxamide

C18H18N2O3 — CID 51148702

IUPAC3-(methoxymethyl)-N-(1-pyridin-4-ylethyl)-1-benzofuran-2-carboxamide
SMILESCOCc1c(C(=O)NC(C)c2ccncc2)oc2ccccc12
InChIInChI=1S/C18H18N2O3/c1-12(13-7-9-19-10-8-13)20-18(21)17-15(11-22-2)14-5-3-4-6-16(14)23-17/h3-10,12H,11H2,1-2H3,(H,20,21)
InChIKeyYUHDUZBJXASFHF-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.47
Rot. Bonds5

About 3-(methoxymethyl)-N-(1-pyridin-4-ylethyl)-1-benzofuran-2-carboxamide

3-(methoxymethyl)-N-(1-pyridin-4-ylethyl)-1-benzofuran-2-carboxamide (PubChem CID 51148702) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 3-(methoxymethyl)-N-(1-pyridin-4-ylethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-(methoxymethyl)-N-(1-pyridin-4-ylethyl)-1-benzofuran-2-carboxamide
PubChem CID51148702
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name3-(methoxymethyl)-N-(1-pyridin-4-ylethyl)-1-benzofuran-2-carboxamide
SMILESCOCc1c(C(=O)NC(C)c2ccncc2)oc2ccccc12
InChIInChI=1S/C18H18N2O3/c1-12(13-7-9-19-10-8-13)20-18(21)17-15(11-22-2)14-5-3-4-6-16(14)23-17/h3-10,12H,11H2,1-2H3,(H,20,21)
InChIKeyYUHDUZBJXASFHF-UHFFFAOYSA-N
XLogP3.47
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(methoxymethyl)-N-(1-naphthalen-2-ylethyl)-1-benzofuran-2-carboxamide
CID 55335651
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
N-[2-(dimethylamino)-2-phenylethyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 51153654
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-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 55447523
3-(phenoxymethyl)-N-propan-2-yl-1-benzofuran-2-carboxamide
CID 7661645
N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 55807945
3-(methoxymethyl)-N-naphthalen-1-yl-1-benzofuran-2-carboxamide
CID 7734068
3-methyl-N-(1-phenylethyl)-1-benzofuran-2-carboxamide
CID 4570219

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-N-(1-pyridin-4-ylethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 3-(methoxymethyl)-N-(1-pyridin-4-ylethyl)-1-benzofuran-2-carboxamide (CID 51148702) is 3-(methoxymethyl)-N-(1-pyridin-4-ylethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-(methoxymethyl)-N-(1-pyridin-4-ylethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-(methoxymethyl)-N-(1-pyridin-4-ylethyl)-1-benzofuran-2-carboxamide is COCc1c(C(=O)NC(C)c2ccncc2)oc2ccccc12.
What is the InChIKey of 3-(methoxymethyl)-N-(1-pyridin-4-ylethyl)-1-benzofuran-2-carboxamide?
The InChIKey is YUHDUZBJXASFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-12(13-7-9-19-10-8-13)20-18(21)17-15(11-22-2)14-5-3-4-6-16(14)23-17/h3-10,12H,11H2,1-2H3,(H,20,21).
What are the key properties of 3-(methoxymethyl)-N-(1-pyridin-4-ylethyl)-1-benzofuran-2-carboxamide?
3-(methoxymethyl)-N-(1-pyridin-4-ylethyl)-1-benzofuran-2-carboxamide has a molecular weight of 310.35 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-N-(1-pyridin-4-ylethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 51148702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).