N-[2-(aminomethyl)cyclopentyl]-3-methyl-1-benzofuran-2-carboxamide

C16H20N2O2 — CID 119605138

IUPACN-[2-(aminomethyl)cyclopentyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NC2CCCC2CN)oc2ccccc12
InChIInChI=1S/C16H20N2O2/c1-10-12-6-2-3-8-14(12)20-15(10)16(19)18-13-7-4-5-11(13)9-17/h2-3,6,8,11,13H,4-5,7,9,17H2,1H3,(H,18,19)
InChIKeyFKXDYEKUOODMQB-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.60
Rot. Bonds3

About N-[2-(aminomethyl)cyclopentyl]-3-methyl-1-benzofuran-2-carboxamide

N-[2-(aminomethyl)cyclopentyl]-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 119605138) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-3-methyl-1-benzofuran-2-carboxamide
PubChem CID119605138
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NC2CCCC2CN)oc2ccccc12
InChIInChI=1S/C16H20N2O2/c1-10-12-6-2-3-8-14(12)20-15(10)16(19)18-13-7-4-5-11(13)9-17/h2-3,6,8,11,13H,4-5,7,9,17H2,1H3,(H,18,19)
InChIKeyFKXDYEKUOODMQB-UHFFFAOYSA-N
XLogP2.60
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-5-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 119610668
N-[2-(aminomethyl)cyclopentyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 119601780
N-[2-(aminomethyl)cyclopentyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide
CID 119605187
3-methyl-N-[(1R,2R)-2-propylcyclopropyl]-1-benzofuran-2-carboxamide
CID 100629753
5-fluoro-N-[2-(hydroxymethyl)cyclopentyl]-3-methyl-1-benzofuran-2-carboxamide
CID 103774296
5-chloro-N-[2-(hydroxymethyl)cyclopentyl]-3-methyl-1-benzofuran-2-carboxamide
CID 103751185
N-[2-(aminomethyl)cyclopentyl]-1-benzofuran-2-carboxamide;hydrochloride
CID 119600706
N-[(1S,2R)-2-(aminomethyl)cyclopentyl]benzamide
CID 94903786
N-(2-amino-1-cyclohexylethyl)-3-methyl-1-benzofuran-2-carboxamide;hydrochloride
CID 119592038
N-[2-[(dimethylamino)methyl]cyclohexyl]-3,5-dimethyl-1-benzofuran-2-carboxamide
CID 110279135
N-[(1R,2S)-2-(aminomethyl)cyclopentyl]-6-methylpyridine-2-carboxamide
CID 139013357
N-[2-(aminomethyl)cyclopentyl]-2-methylsulfonylbenzamide
CID 119601875

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-3-methyl-1-benzofuran-2-carboxamide (CID 119605138) is N-[2-(aminomethyl)cyclopentyl]-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-3-methyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)NC2CCCC2CN)oc2ccccc12.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is FKXDYEKUOODMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-10-12-6-2-3-8-14(12)20-15(10)16(19)18-13-7-4-5-11(13)9-17/h2-3,6,8,11,13H,4-5,7,9,17H2,1H3,(H,18,19).
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-3-methyl-1-benzofuran-2-carboxamide?
N-[2-(aminomethyl)cyclopentyl]-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 2.60, 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-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 119605138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).