N-(2-aminoethyl)-N-cyclopentyl-5-methyl-1-benzofuran-2-carboxamide

C17H22N2O2 — CID 63753713

IUPACN-(2-aminoethyl)-N-cyclopentyl-5-methyl-1-benzofuran-2-carboxamide
SMILESCc1ccc2oc(C(=O)N(CCN)C3CCCC3)cc2c1
InChIInChI=1S/C17H22N2O2/c1-12-6-7-15-13(10-12)11-16(21-15)17(20)19(9-8-18)14-4-2-3-5-14/h6-7,10-11,14H,2-5,8-9,18H2,1H3
InChIKeyLPWWHSYMCOFEPE-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.08
Rot. Bonds4

About N-(2-aminoethyl)-N-cyclopentyl-5-methyl-1-benzofuran-2-carboxamide

N-(2-aminoethyl)-N-cyclopentyl-5-methyl-1-benzofuran-2-carboxamide (PubChem CID 63753713) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-cyclopentyl-5-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-cyclopentyl-5-methyl-1-benzofuran-2-carboxamide
PubChem CID63753713
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC NameN-(2-aminoethyl)-N-cyclopentyl-5-methyl-1-benzofuran-2-carboxamide
SMILESCc1ccc2oc(C(=O)N(CCN)C3CCCC3)cc2c1
InChIInChI=1S/C17H22N2O2/c1-12-6-7-15-13(10-12)11-16(21-15)17(20)19(9-8-18)14-4-2-3-5-14/h6-7,10-11,14H,2-5,8-9,18H2,1H3
InChIKeyLPWWHSYMCOFEPE-UHFFFAOYSA-N
XLogP3.08
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-cyclopentyl-5-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(2-aminoethyl)-N-cyclopentyl-5-methyl-1-benzofuran-2-carboxamide (CID 63753713) is N-(2-aminoethyl)-N-cyclopentyl-5-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-N-cyclopentyl-5-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-N-cyclopentyl-5-methyl-1-benzofuran-2-carboxamide is Cc1ccc2oc(C(=O)N(CCN)C3CCCC3)cc2c1.
What is the InChIKey of N-(2-aminoethyl)-N-cyclopentyl-5-methyl-1-benzofuran-2-carboxamide?
The InChIKey is LPWWHSYMCOFEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12-6-7-15-13(10-12)11-16(21-15)17(20)19(9-8-18)14-4-2-3-5-14/h6-7,10-11,14H,2-5,8-9,18H2,1H3.
What are the key properties of N-(2-aminoethyl)-N-cyclopentyl-5-methyl-1-benzofuran-2-carboxamide?
N-(2-aminoethyl)-N-cyclopentyl-5-methyl-1-benzofuran-2-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-cyclopentyl-5-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 63753713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).