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

C22H25NO4 — CID 91767542

IUPACN-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-3-ethoxybenzamide
SMILESCCOc1cccc(C(=O)NC(c2ccc3c(c2)CCO3)C2CC(O)C2)c1
InChIInChI=1S/C22H25NO4/c1-2-26-19-5-3-4-16(13-19)22(25)23-21(17-11-18(24)12-17)15-6-7-20-14(10-15)8-9-27-20/h3-7,10,13,17-18,21,24H,2,8-9,11-12H2,1H3,(H,23,25)
InChIKeyJLQXWGOYARWMKZ-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.26
Rot. Bonds6

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

N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-3-ethoxybenzamide (PubChem CID 91767542) has the molecular formula C22H25NO4 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-3-ethoxybenzamide.

Molecular Properties

Compound NameN-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-3-ethoxybenzamide
PubChem CID91767542
Molecular FormulaC22H25NO4
Molecular Weight367.45 g/mol
Exact Mass367.18
IUPAC NameN-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-3-ethoxybenzamide
SMILESCCOc1cccc(C(=O)NC(c2ccc3c(c2)CCO3)C2CC(O)C2)c1
InChIInChI=1S/C22H25NO4/c1-2-26-19-5-3-4-16(13-19)22(25)23-21(17-11-18(24)12-17)15-6-7-20-14(10-15)8-9-27-20/h3-7,10,13,17-18,21,24H,2,8-9,11-12H2,1H3,(H,23,25)
InChIKeyJLQXWGOYARWMKZ-UHFFFAOYSA-N
XLogP3.26
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-3-[(dimethylamino)methyl]benzamide
CID 91788262
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-ethyl-6-oxo-1H-pyridine-4-carboxamide
CID 91797125
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]-2-hydroxy-4-methoxybenzamide
CID 91784717
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-ethyl-4-methyl-1,3-thiazole-5-carboxamide
CID 91781882
N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-oxo-2-pyridin-3-ylacetamide
CID 91784237
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
5-chloro-N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 91764049
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]-3-ethoxybenzamide?
The IUPAC name of N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-3-ethoxybenzamide (CID 91767542) is N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-3-ethoxybenzamide.
What is the SMILES notation for N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-3-ethoxybenzamide?
The canonical SMILES for N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-3-ethoxybenzamide is CCOc1cccc(C(=O)NC(c2ccc3c(c2)CCO3)C2CC(O)C2)c1.
What is the InChIKey of N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-3-ethoxybenzamide?
The InChIKey is JLQXWGOYARWMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO4/c1-2-26-19-5-3-4-16(13-19)22(25)23-21(17-11-18(24)12-17)15-6-7-20-14(10-15)8-9-27-20/h3-7,10,13,17-18,21,24H,2,8-9,11-12H2,1H3,(H,23,25).
What are the key properties of N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-3-ethoxybenzamide?
N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-3-ethoxybenzamide has a molecular weight of 367.45 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-3-ethoxybenzamide is sourced from PubChem (CID 91767542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).