N-[[1-(hydroxymethyl)cyclobutyl]methyl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide

C18H23NO3 — CID 91954352

IUPACN-[[1-(hydroxymethyl)cyclobutyl]methyl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide
SMILESCc1cc2oc(C(=O)NCC3(CO)CCC3)c(C)c2cc1C
InChIInChI=1S/C18H23NO3/c1-11-7-14-13(3)16(22-15(14)8-12(11)2)17(21)19-9-18(10-20)5-4-6-18/h7-8,20H,4-6,9-10H2,1-3H3,(H,19,21)
InChIKeyIOJOVHGHKMKYPT-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.25
Rot. Bonds4

About N-[[1-(hydroxymethyl)cyclobutyl]methyl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide

N-[[1-(hydroxymethyl)cyclobutyl]methyl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide (PubChem CID 91954352) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclobutyl]methyl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclobutyl]methyl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide
PubChem CID91954352
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC NameN-[[1-(hydroxymethyl)cyclobutyl]methyl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide
SMILESCc1cc2oc(C(=O)NCC3(CO)CCC3)c(C)c2cc1C
InChIInChI=1S/C18H23NO3/c1-11-7-14-13(3)16(22-15(14)8-12(11)2)17(21)19-9-18(10-20)5-4-6-18/h7-8,20H,4-6,9-10H2,1-3H3,(H,19,21)
InChIKeyIOJOVHGHKMKYPT-UHFFFAOYSA-N
XLogP3.25
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-[(dimethylamino)methyl]oxan-4-yl]methyl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide
CID 91957431
N-[(1-hydroxycyclobutyl)methyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 111445162
5-bromo-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylbenzamide
CID 113294009
5-ethyl-3-methyl-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]-1-benzofuran-2-carboxamide
CID 91957127
5-bromo-3-methyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1-benzofuran-2-carboxamide
CID 3950385
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylfuran-3-carboxamide
CID 115362271
3-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methylbenzamide
CID 115993853
3,5-dichloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-methoxybenzamide
CID 115362194
5-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylbenzamide
CID 115357784
3-methyl-N-[(1-phenylcyclopropyl)methyl]-1-benzofuran-2-carboxamide
CID 16602422
3-methyl-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]-1-benzofuran-2-carboxamide
CID 91957980
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2,4,5-trimethylfuran-3-carboxamide
CID 80712282

Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)cyclobutyl]methyl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclobutyl]methyl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide (CID 91954352) is N-[[1-(hydroxymethyl)cyclobutyl]methyl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclobutyl]methyl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclobutyl]methyl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide is Cc1cc2oc(C(=O)NCC3(CO)CCC3)c(C)c2cc1C.
What is the InChIKey of N-[[1-(hydroxymethyl)cyclobutyl]methyl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide?
The InChIKey is IOJOVHGHKMKYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c1-11-7-14-13(3)16(22-15(14)8-12(11)2)17(21)19-9-18(10-20)5-4-6-18/h7-8,20H,4-6,9-10H2,1-3H3,(H,19,21).
What are the key properties of N-[[1-(hydroxymethyl)cyclobutyl]methyl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide?
N-[[1-(hydroxymethyl)cyclobutyl]methyl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(hydroxymethyl)cyclobutyl]methyl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 91954352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).