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

C22H25NO4 — CID 91762064

IUPACN-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-4-methoxy-2-methylbenzamide
SMILESCOc1ccc(C(=O)NC(c2ccc3c(c2)CCO3)C2CC(O)C2)c(C)c1
InChIInChI=1S/C22H25NO4/c1-13-9-18(26-2)4-5-19(13)22(25)23-21(16-11-17(24)12-16)15-3-6-20-14(10-15)7-8-27-20/h3-6,9-10,16-17,21,24H,7-8,11-12H2,1-2H3,(H,23,25)
InChIKeyMIEWREHEZWBMPZ-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.18
Rot. Bonds5

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

N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-4-methoxy-2-methylbenzamide (PubChem CID 91762064) 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]-4-methoxy-2-methylbenzamide.

Molecular Properties

Compound NameN-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-4-methoxy-2-methylbenzamide
PubChem CID91762064
Molecular FormulaC22H25NO4
Molecular Weight367.45 g/mol
Exact Mass367.18
IUPAC NameN-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-4-methoxy-2-methylbenzamide
SMILESCOc1ccc(C(=O)NC(c2ccc3c(c2)CCO3)C2CC(O)C2)c(C)c1
InChIInChI=1S/C22H25NO4/c1-13-9-18(26-2)4-5-19(13)22(25)23-21(16-11-17(24)12-16)15-3-6-20-14(10-15)7-8-27-20/h3-6,9-10,16-17,21,24H,7-8,11-12H2,1-2H3,(H,23,25)
InChIKeyMIEWREHEZWBMPZ-UHFFFAOYSA-N
XLogP3.18
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.18
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]-2-hydroxy-4-methoxybenzamide
CID 91784717
N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-fluoro-4-methylbenzamide
CID 91766761
N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-4-methoxy-2-methylbenzamide
CID 91778211
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]thiophene-3-carboxamide
CID 91770511
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]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

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-4-methoxy-2-methylbenzamide?
The IUPAC name of N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-4-methoxy-2-methylbenzamide (CID 91762064) is N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-4-methoxy-2-methylbenzamide.
What is the SMILES notation for N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-4-methoxy-2-methylbenzamide?
The canonical SMILES for N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-4-methoxy-2-methylbenzamide is COc1ccc(C(=O)NC(c2ccc3c(c2)CCO3)C2CC(O)C2)c(C)c1.
What is the InChIKey of N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-4-methoxy-2-methylbenzamide?
The InChIKey is MIEWREHEZWBMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO4/c1-13-9-18(26-2)4-5-19(13)22(25)23-21(16-11-17(24)12-16)15-3-6-20-14(10-15)7-8-27-20/h3-6,9-10,16-17,21,24H,7-8,11-12H2,1-2H3,(H,23,25).
What are the key properties of N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-4-methoxy-2-methylbenzamide?
N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-4-methoxy-2-methylbenzamide has a molecular weight of 367.45 g/mol, XLogP of 3.18, 5 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]-4-methoxy-2-methylbenzamide is sourced from PubChem (CID 91762064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).