N-[2-(aminomethyl)cyclopentyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide

C18H24N2O2 — CID 119605187

IUPACN-[2-(aminomethyl)cyclopentyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide
SMILESCc1ccc(C)c2c(C)c(C(=O)NC3CCCC3CN)oc12
InChIInChI=1S/C18H24N2O2/c1-10-7-8-11(2)16-15(10)12(3)17(22-16)18(21)20-14-6-4-5-13(14)9-19/h7-8,13-14H,4-6,9,19H2,1-3H3,(H,20,21)
InChIKeyWKATXVGRLIBMHP-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.22
Rot. Bonds3

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

N-[2-(aminomethyl)cyclopentyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide (PubChem CID 119605187) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide
PubChem CID119605187
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide
SMILESCc1ccc(C)c2c(C)c(C(=O)NC3CCCC3CN)oc12
InChIInChI=1S/C18H24N2O2/c1-10-7-8-11(2)16-15(10)12(3)17(22-16)18(21)20-14-6-4-5-13(14)9-19/h7-8,13-14H,4-6,9,19H2,1-3H3,(H,20,21)
InChIKeyWKATXVGRLIBMHP-UHFFFAOYSA-N
XLogP3.22
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-3-methyl-1-benzofuran-2-carboxamide
CID 119605138
N-[2-(aminomethyl)cyclohexyl]-5-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 119610668
N-[2-(aminomethyl)cyclopentyl]-4-methyl-3-methylsulfonylbenzamide;hydrochloride
CID 119602106
3,4,7-trimethyl-N-(pyrrolidin-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 119514675
N-[2-(aminomethyl)cyclohexyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide;hydrochloride
CID 119611691
N-[2-(aminomethyl)cyclohexyl]-2,6-difluoro-3-methylbenzamide
CID 82816320
N-[2-(aminomethyl)cyclohexyl]-2-methylbenzamide;hydrochloride
CID 119609179
N-[(1S,2R)-2-(aminomethyl)cyclopentyl]benzamide
CID 94903786
N-[2-(aminomethyl)cyclopentyl]-5-methyl-1-benzofuran-2-carboxamide;hydrochloride
CID 119602924
N-[2-(aminomethyl)cyclopentyl]-4-propanoylbenzamide
CID 119603540
N-[2-(aminomethyl)cyclopentyl]-2-(2,5-dimethylphenyl)acetamide;hydrochloride
CID 119604312
N-[2-(aminomethyl)cyclopentyl]-2-methylsulfonylbenzamide
CID 119601875

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide (CID 119605187) is N-[2-(aminomethyl)cyclopentyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide is Cc1ccc(C)c2c(C)c(C(=O)NC3CCCC3CN)oc12.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide?
The InChIKey is WKATXVGRLIBMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-10-7-8-11(2)16-15(10)12(3)17(22-16)18(21)20-14-6-4-5-13(14)9-19/h7-8,13-14H,4-6,9,19H2,1-3H3,(H,20,21).
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide?
N-[2-(aminomethyl)cyclopentyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide has a molecular weight of 300.40 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 119605187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).