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

C23H28N2O3 — CID 91788262

IUPACN-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-3-[(dimethylamino)methyl]benzamide
SMILESCN(C)Cc1cccc(C(=O)NC(c2ccc3c(c2)CCO3)C2CC(O)C2)c1
InChIInChI=1S/C23H28N2O3/c1-25(2)14-15-4-3-5-18(10-15)23(27)24-22(19-12-20(26)13-19)17-6-7-21-16(11-17)8-9-28-21/h3-7,10-11,19-20,22,26H,8-9,12-14H2,1-2H3,(H,24,27)
InChIKeyPFCVRKITMXVSOP-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.93
Rot. Bonds6

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

N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-3-[(dimethylamino)methyl]benzamide (PubChem CID 91788262) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-3-[(dimethylamino)methyl]benzamide.

Molecular Properties

Compound NameN-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-3-[(dimethylamino)methyl]benzamide
PubChem CID91788262
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC NameN-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-3-[(dimethylamino)methyl]benzamide
SMILESCN(C)Cc1cccc(C(=O)NC(c2ccc3c(c2)CCO3)C2CC(O)C2)c1
InChIInChI=1S/C23H28N2O3/c1-25(2)14-15-4-3-5-18(10-15)23(27)24-22(19-12-20(26)13-19)17-6-7-21-16(11-17)8-9-28-21/h3-7,10-11,19-20,22,26H,8-9,12-14H2,1-2H3,(H,24,27)
InChIKeyPFCVRKITMXVSOP-UHFFFAOYSA-N
XLogP2.93
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.93
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-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]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]-2-(dimethylcarbamoylamino)acetamide
CID 91769960
N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-ethyl-6-oxo-1H-pyridine-4-carboxamide
CID 91797125
2-[cyclopentyl(methyl)amino]-N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]acetamide
CID 91778926
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
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]-2-(3,5-dimethylpyrazolidin-4-yl)acetamide
CID 133268359
N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]cyclobutanecarboxamide
CID 91771691

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-3-[(dimethylamino)methyl]benzamide?
The IUPAC name of N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-3-[(dimethylamino)methyl]benzamide (CID 91788262) is N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-3-[(dimethylamino)methyl]benzamide.
What is the SMILES notation for N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-3-[(dimethylamino)methyl]benzamide?
The canonical SMILES for N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-3-[(dimethylamino)methyl]benzamide is CN(C)Cc1cccc(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-[(dimethylamino)methyl]benzamide?
The InChIKey is PFCVRKITMXVSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-25(2)14-15-4-3-5-18(10-15)23(27)24-22(19-12-20(26)13-19)17-6-7-21-16(11-17)8-9-28-21/h3-7,10-11,19-20,22,26H,8-9,12-14H2,1-2H3,(H,24,27).
What are the key properties of N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-3-[(dimethylamino)methyl]benzamide?
N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-3-[(dimethylamino)methyl]benzamide has a molecular weight of 380.49 g/mol, XLogP of 2.93, 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-[(dimethylamino)methyl]benzamide is sourced from PubChem (CID 91788262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).