N-[(1-hydroxycyclopentyl)methyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide

C18H23NO3 — CID 111331453

IUPACN-[(1-hydroxycyclopentyl)methyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide
SMILESCc1ccc(C)c2c(C)c(C(=O)NCC3(O)CCCC3)oc12
InChIInChI=1S/C18H23NO3/c1-11-6-7-12(2)15-14(11)13(3)16(22-15)17(20)19-10-18(21)8-4-5-9-18/h6-7,21H,4-5,8-10H2,1-3H3,(H,19,20)
InChIKeySOLIQCLZQLTONJ-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.39
Rot. Bonds3

About N-[(1-hydroxycyclopentyl)methyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide

N-[(1-hydroxycyclopentyl)methyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide (PubChem CID 111331453) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[(1-hydroxycyclopentyl)methyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclopentyl)methyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide
PubChem CID111331453
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC NameN-[(1-hydroxycyclopentyl)methyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide
SMILESCc1ccc(C)c2c(C)c(C(=O)NCC3(O)CCCC3)oc12
InChIInChI=1S/C18H23NO3/c1-11-6-7-12(2)15-14(11)13(3)16(22-15)17(20)19-10-18(21)8-4-5-9-18/h6-7,21H,4-5,8-10H2,1-3H3,(H,19,20)
InChIKeySOLIQCLZQLTONJ-UHFFFAOYSA-N
XLogP3.39
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(3,4,7-trimethyl-1-benzofuran-2-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 120542813
3,4,7-trimethyl-N-[3-(methylamino)propyl]-1-benzofuran-2-carboxamide;hydrochloride
CID 119434168
3,4,7-trimethyl-N-(pyrrolidin-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 119514675
N-(3-aminobutyl)-3,4,7-trimethyl-1-benzofuran-2-carboxamide;hydrochloride
CID 119499601
methyl (2S)-2-hydroxy-3-[(3,4,7-trimethyl-1-benzofuran-2-carbonyl)amino]propanoate
CID 97252425
N-(2-amino-2-ethylbutyl)-3,4,7-trimethyl-1-benzofuran-2-carboxamide;hydrochloride
CID 119643855
N-[(2R)-2-(ethylamino)propyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide;hydrochloride
CID 120650740
N-(2-amino-2-phenylethyl)-3,4,7-trimethyl-1-benzofuran-2-carboxamide
CID 119529618
3,4,7-trimethyl-N-(2-pyrrolidin-3-ylethyl)-1-benzofuran-2-carboxamide
CID 119538081
N-[(3S)-3-cyanothiolan-3-yl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide
CID 95305350
N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzamide
CID 22267456
N-[(1-hydroxycyclobutyl)methyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 111445162

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclopentyl)methyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(1-hydroxycyclopentyl)methyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide (CID 111331453) is N-[(1-hydroxycyclopentyl)methyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(1-hydroxycyclopentyl)methyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(1-hydroxycyclopentyl)methyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide is Cc1ccc(C)c2c(C)c(C(=O)NCC3(O)CCCC3)oc12.
What is the InChIKey of N-[(1-hydroxycyclopentyl)methyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide?
The InChIKey is SOLIQCLZQLTONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c1-11-6-7-12(2)15-14(11)13(3)16(22-15)17(20)19-10-18(21)8-4-5-9-18/h6-7,21H,4-5,8-10H2,1-3H3,(H,19,20).
What are the key properties of N-[(1-hydroxycyclopentyl)methyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide?
N-[(1-hydroxycyclopentyl)methyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclopentyl)methyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 111331453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).