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

C22H24N2O3 — CID 119601780

IUPACN-[2-(aminomethyl)cyclopentyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
SMILESNCC1CCCC1NC(=O)c1oc2ccccc2c1COc1ccccc1
InChIInChI=1S/C22H24N2O3/c23-13-15-7-6-11-19(15)24-22(25)21-18(14-26-16-8-2-1-3-9-16)17-10-4-5-12-20(17)27-21/h1-5,8-10,12,15,19H,6-7,11,13-14,23H2,(H,24,25)
InChIKeyLNISAXPETSOKLW-UHFFFAOYSA-N
MW364.44 g/mol
LogP3.87
Rot. Bonds6

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

N-[2-(aminomethyl)cyclopentyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide (PubChem CID 119601780) has the molecular formula C22H24N2O3 and a molecular weight of 364.44 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
PubChem CID119601780
Molecular FormulaC22H24N2O3
Molecular Weight364.44 g/mol
Exact Mass364.18
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
SMILESNCC1CCCC1NC(=O)c1oc2ccccc2c1COc1ccccc1
InChIInChI=1S/C22H24N2O3/c23-13-15-7-6-11-19(15)24-22(25)21-18(14-26-16-8-2-1-3-9-16)17-10-4-5-12-20(17)27-21/h1-5,8-10,12,15,19H,6-7,11,13-14,23H2,(H,24,25)
InChIKeyLNISAXPETSOKLW-UHFFFAOYSA-N
XLogP3.87
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-3-methyl-1-benzofuran-2-carboxamide
CID 119605138
3-(phenoxymethyl)-N-propan-2-yl-1-benzofuran-2-carboxamide
CID 7661645
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 2669833
N-(2-methylpiperidin-4-yl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide;hydrochloride
CID 120602574
N-[2-(aminomethyl)cyclopentyl]-2-phenoxyacetamide;hydrochloride
CID 119601101
N-cyclohexyl-N-methyl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 18287633
N-[(1S,2R)-2-(aminomethyl)cyclopentyl]benzamide
CID 94903786
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 51187023
N-[2-(aminomethyl)cyclopentyl]-1-benzofuran-2-carboxamide;hydrochloride
CID 119600706
[3-(phenoxymethyl)-1-benzofuran-2-yl]-piperidin-1-ylmethanone
CID 35809417
N-[(4-chlorophenyl)methyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 2511433
N-[3-(methylamino)propyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 119430694

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide (CID 119601780) is N-[2-(aminomethyl)cyclopentyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide is NCC1CCCC1NC(=O)c1oc2ccccc2c1COc1ccccc1.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide?
The InChIKey is LNISAXPETSOKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c23-13-15-7-6-11-19(15)24-22(25)21-18(14-26-16-8-2-1-3-9-16)17-10-4-5-12-20(17)27-21/h1-5,8-10,12,15,19H,6-7,11,13-14,23H2,(H,24,25).
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide?
N-[2-(aminomethyl)cyclopentyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide has a molecular weight of 364.44 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 119601780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).