N-[(1-hydroxycyclopentyl)methyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide

C17H21NO4 — CID 111331196

IUPACN-[(1-hydroxycyclopentyl)methyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
SMILESCOc1ccc2oc(C)c(C(=O)NCC3(O)CCCC3)c2c1
InChIInChI=1S/C17H21NO4/c1-11-15(13-9-12(21-2)5-6-14(13)22-11)16(19)18-10-17(20)7-3-4-8-17/h5-6,9,20H,3-4,7-8,10H2,1-2H3,(H,18,19)
InChIKeyGWPVKEMFYOJAOT-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.78
Rot. Bonds4

About N-[(1-hydroxycyclopentyl)methyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide

N-[(1-hydroxycyclopentyl)methyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide (PubChem CID 111331196) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-[(1-hydroxycyclopentyl)methyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclopentyl)methyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
PubChem CID111331196
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC NameN-[(1-hydroxycyclopentyl)methyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
SMILESCOc1ccc2oc(C)c(C(=O)NCC3(O)CCCC3)c2c1
InChIInChI=1S/C17H21NO4/c1-11-15(13-9-12(21-2)5-6-14(13)22-11)16(19)18-10-17(20)7-3-4-8-17/h5-6,9,20H,3-4,7-8,10H2,1-2H3,(H,18,19)
InChIKeyGWPVKEMFYOJAOT-UHFFFAOYSA-N
XLogP2.78
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-hydroxy-2-(4-hydroxyphenyl)-N-methyl-4-(piperidin-1-ylmethyl)benzofuran-3-carboxamide
CID 122644519
S24014
CID 9998187
N-[2-(5-Methoxy-2-phenyl-benzofuran-3-yl)-ethyl]-acetamide
CID 9839629
N-[2-(2-Benzyl-5-methoxy-benzofuran-3-yl)-ethyl]-acrylamide
CID 9884156
N-[2-(2-Benzyl-5-methoxy-benzofuran-3-yl)-ethyl]-acetamide
CID 9927219
But-3-enoic acid [2-(5-methoxy-2-phenyl-benzofuran-3-yl)-ethyl]-amide
CID 10925712
But-3-enoic acid [2-(2-benzyl-5-methoxy-benzofuran-3-yl)-ethyl]-amide
CID 10926138
N-[2-(5-Methoxy-2-phenyl-benzofuran-3-yl)-ethyl]-acrylamide
CID 11723593
N-[2-(2-Benzyl-5-methoxy-benzofuran-3-yl)-ethyl]-butyramide
CID 11810280
N-{2-[5-Methoxy-2-(2-methoxy-benzyl)-benzofuran-3-yl]-ethyl}-acetamide
CID 11824364
N-{2-[5-Methoxy-2-(4-methoxy-benzyl)-benzofuran-3-yl]-ethyl}-acetamide
CID 11824365
5-ethoxy-N,N-dimethyl-2-phenyl-1-benzofuran-3-carboxamide
CID 782051

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclopentyl)methyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide?
The IUPAC name of N-[(1-hydroxycyclopentyl)methyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide (CID 111331196) is N-[(1-hydroxycyclopentyl)methyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-[(1-hydroxycyclopentyl)methyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide?
The canonical SMILES for N-[(1-hydroxycyclopentyl)methyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide is COc1ccc2oc(C)c(C(=O)NCC3(O)CCCC3)c2c1.
What is the InChIKey of N-[(1-hydroxycyclopentyl)methyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide?
The InChIKey is GWPVKEMFYOJAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4/c1-11-15(13-9-12(21-2)5-6-14(13)22-11)16(19)18-10-17(20)7-3-4-8-17/h5-6,9,20H,3-4,7-8,10H2,1-2H3,(H,18,19).
What are the key properties of N-[(1-hydroxycyclopentyl)methyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide?
N-[(1-hydroxycyclopentyl)methyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclopentyl)methyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 111331196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).