N-(2-amino-1-cyclopentylethyl)-2,3-dihydro-1-benzofuran-5-carboxamide

C16H22N2O2 — CID 106737365

IUPACN-(2-amino-1-cyclopentylethyl)-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESNCC(NC(=O)c1ccc2c(c1)CCO2)C1CCCC1
InChIInChI=1S/C16H22N2O2/c17-10-14(11-3-1-2-4-11)18-16(19)13-5-6-15-12(9-13)7-8-20-15/h5-6,9,11,14H,1-4,7-8,10,17H2,(H,18,19)
InChIKeyUMDIQNKOYNUYOS-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.87
Rot. Bonds4

About N-(2-amino-1-cyclopentylethyl)-2,3-dihydro-1-benzofuran-5-carboxamide

N-(2-amino-1-cyclopentylethyl)-2,3-dihydro-1-benzofuran-5-carboxamide (PubChem CID 106737365) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-(2-amino-1-cyclopentylethyl)-2,3-dihydro-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopentylethyl)-2,3-dihydro-1-benzofuran-5-carboxamide
PubChem CID106737365
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-(2-amino-1-cyclopentylethyl)-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESNCC(NC(=O)c1ccc2c(c1)CCO2)C1CCCC1
InChIInChI=1S/C16H22N2O2/c17-10-14(11-3-1-2-4-11)18-16(19)13-5-6-15-12(9-13)7-8-20-15/h5-6,9,11,14H,1-4,7-8,10,17H2,(H,18,19)
InChIKeyUMDIQNKOYNUYOS-UHFFFAOYSA-N
XLogP1.87
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-1-cyclopentylethyl)-1,3-benzodioxole-5-carboxamide
CID 106737541
N-(2-amino-1-cyclohexylethyl)-2,3-dihydro-1H-indene-5-carboxamide;hydrochloride
CID 119591970
N-(1-amino-3-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 65191054
N-(2-cyclopentyl-2-hydroxyethyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 111426308
N-[2-(aminomethyl)cyclopentyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 62955860
N-(1,3-dihydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 65312218
N-cyclopropyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 71942700
N-(2-amino-1-cyclohexylethyl)-3,4-dichlorobenzamide
CID 81486899
N-(2-amino-1-cyclopentylethyl)-4-methylsulfanylbenzamide
CID 106737308
N-(2-bromocyclohexyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 114311850
N-(3-amino-2-methylpropyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 62667060
3-[(2-amino-1-cyclohexylethyl)carbamoyl]benzoic acid
CID 122153095

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopentylethyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The IUPAC name of N-(2-amino-1-cyclopentylethyl)-2,3-dihydro-1-benzofuran-5-carboxamide (CID 106737365) is N-(2-amino-1-cyclopentylethyl)-2,3-dihydro-1-benzofuran-5-carboxamide.
What is the SMILES notation for N-(2-amino-1-cyclopentylethyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The canonical SMILES for N-(2-amino-1-cyclopentylethyl)-2,3-dihydro-1-benzofuran-5-carboxamide is NCC(NC(=O)c1ccc2c(c1)CCO2)C1CCCC1.
What is the InChIKey of N-(2-amino-1-cyclopentylethyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The InChIKey is UMDIQNKOYNUYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c17-10-14(11-3-1-2-4-11)18-16(19)13-5-6-15-12(9-13)7-8-20-15/h5-6,9,11,14H,1-4,7-8,10,17H2,(H,18,19).
What are the key properties of N-(2-amino-1-cyclopentylethyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
N-(2-amino-1-cyclopentylethyl)-2,3-dihydro-1-benzofuran-5-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopentylethyl)-2,3-dihydro-1-benzofuran-5-carboxamide is sourced from PubChem (CID 106737365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).