N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-hydroxy-4-methoxybenzamide

C21H23NO5 — CID 91784717

IUPACN-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(c2ccc3c(c2)CCO3)C2CC(O)C2)c(O)c1
InChIInChI=1S/C21H23NO5/c1-26-16-3-4-17(18(24)11-16)21(25)22-20(14-9-15(23)10-14)13-2-5-19-12(8-13)6-7-27-19/h2-5,8,11,14-15,20,23-24H,6-7,9-10H2,1H3,(H,22,25)
InChIKeyBLCLKBCRTVIQJE-UHFFFAOYSA-N
MW369.42 g/mol
LogP2.58
Rot. Bonds5

About N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-hydroxy-4-methoxybenzamide

N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-hydroxy-4-methoxybenzamide (PubChem CID 91784717) has the molecular formula C21H23NO5 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-hydroxy-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-hydroxy-4-methoxybenzamide
PubChem CID91784717
Molecular FormulaC21H23NO5
Molecular Weight369.42 g/mol
Exact Mass369.16
IUPAC NameN-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(c2ccc3c(c2)CCO3)C2CC(O)C2)c(O)c1
InChIInChI=1S/C21H23NO5/c1-26-16-3-4-17(18(24)11-16)21(25)22-20(14-9-15(23)10-14)13-2-5-19-12(8-13)6-7-27-19/h2-5,8,11,14-15,20,23-24H,6-7,9-10H2,1H3,(H,22,25)
InChIKeyBLCLKBCRTVIQJE-UHFFFAOYSA-N
XLogP2.58
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-4-methoxy-2-methylbenzamide
CID 91762064
N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-fluoro-4-methylbenzamide
CID 91766761
N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]thiophene-3-carboxamide
CID 91770511
N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]pyridine-4-carboxamide
CID 91784492
N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-methylsulfanylacetamide
CID 91768807
N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-3-ethoxybenzamide
CID 91767542
N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]cyclobutanecarboxamide
CID 91771691
N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-(dimethylcarbamoylamino)acetamide
CID 91769960
N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2H-triazole-4-carboxamide
CID 91761665
N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]oxane-4-carboxamide
CID 91784935
N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide
CID 91781882
2-[cyclopentyl(methyl)amino]-N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]acetamide
CID 91778926

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-hydroxy-4-methoxybenzamide?
The IUPAC name of N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-hydroxy-4-methoxybenzamide (CID 91784717) is N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-hydroxy-4-methoxybenzamide.
What is the SMILES notation for N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-hydroxy-4-methoxybenzamide?
The canonical SMILES for N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-hydroxy-4-methoxybenzamide is COc1ccc(C(=O)NC(c2ccc3c(c2)CCO3)C2CC(O)C2)c(O)c1.
What is the InChIKey of N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-hydroxy-4-methoxybenzamide?
The InChIKey is BLCLKBCRTVIQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO5/c1-26-16-3-4-17(18(24)11-16)21(25)22-20(14-9-15(23)10-14)13-2-5-19-12(8-13)6-7-27-19/h2-5,8,11,14-15,20,23-24H,6-7,9-10H2,1H3,(H,22,25).
What are the key properties of N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-hydroxy-4-methoxybenzamide?
N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-hydroxy-4-methoxybenzamide has a molecular weight of 369.42 g/mol, XLogP of 2.58, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-hydroxy-4-methoxybenzamide is sourced from PubChem (CID 91784717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).