N-(2-amino-1-cyclopropylethyl)-3,7-dimethyl-1-benzofuran-2-carboxamide

C16H20N2O2 — CID 119617716

IUPACN-(2-amino-1-cyclopropylethyl)-3,7-dimethyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NC(CN)C2CC2)oc2c(C)cccc12
InChIInChI=1S/C16H20N2O2/c1-9-4-3-5-12-10(2)15(20-14(9)12)16(19)18-13(8-17)11-6-7-11/h3-5,11,13H,6-8,17H2,1-2H3,(H,18,19)
InChIKeyLQCJLYZKGAVCDT-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.52
Rot. Bonds4

About N-(2-amino-1-cyclopropylethyl)-3,7-dimethyl-1-benzofuran-2-carboxamide

N-(2-amino-1-cyclopropylethyl)-3,7-dimethyl-1-benzofuran-2-carboxamide (PubChem CID 119617716) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-3,7-dimethyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-3,7-dimethyl-1-benzofuran-2-carboxamide
PubChem CID119617716
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-(2-amino-1-cyclopropylethyl)-3,7-dimethyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NC(CN)C2CC2)oc2c(C)cccc12
InChIInChI=1S/C16H20N2O2/c1-9-4-3-5-12-10(2)15(20-14(9)12)16(19)18-13(8-17)11-6-7-11/h3-5,11,13H,6-8,17H2,1-2H3,(H,18,19)
InChIKeyLQCJLYZKGAVCDT-UHFFFAOYSA-N
XLogP2.52
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-1-cyclohexylethyl)-3-methyl-1-benzofuran-2-carboxamide;hydrochloride
CID 119592038
N-(2-amino-1-cyclopropylethyl)-4-methyl-2-oxochromene-3-carboxamide
CID 119616565
N-(1-amino-2,4-dimethylpentan-2-yl)-3,7-dimethyl-1-benzofuran-2-carboxamide
CID 119600294
N-(2-amino-1-cyclopropylethyl)naphthalene-1-carboxamide
CID 65188485
3,7-dimethyl-N-prop-2-ynyl-1-benzofuran-2-carboxamide
CID 47366244
3,7-dimethyl-N-[2-(methylamino)ethyl]-1-benzofuran-2-carboxamide;hydrochloride
CID 119504301
N-(2-amino-1-cyclohexylethyl)-2-methylbenzamide;hydrochloride
CID 119588952
N-(2-amino-1-cyclopropylethyl)-2-[(2-fluorobenzoyl)amino]-3-methylbenzamide;hydrochloride
CID 119617713
3,7-dimethyl-N-(2-pyrrolidin-3-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride
CID 119538086
N-(2-amino-1-cyclopropylethyl)-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide;hydrochloride
CID 119615381
N-(2-amino-1-cyclopropylethyl)-5-chloro-2-methylbenzamide
CID 82883177
N-(2-amino-1-cyclopropylethyl)-3-bromofuran-2-carboxamide;hydrochloride
CID 119615808

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-3,7-dimethyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-3,7-dimethyl-1-benzofuran-2-carboxamide (CID 119617716) is N-(2-amino-1-cyclopropylethyl)-3,7-dimethyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-3,7-dimethyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-3,7-dimethyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)NC(CN)C2CC2)oc2c(C)cccc12.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-3,7-dimethyl-1-benzofuran-2-carboxamide?
The InChIKey is LQCJLYZKGAVCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-9-4-3-5-12-10(2)15(20-14(9)12)16(19)18-13(8-17)11-6-7-11/h3-5,11,13H,6-8,17H2,1-2H3,(H,18,19).
What are the key properties of N-(2-amino-1-cyclopropylethyl)-3,7-dimethyl-1-benzofuran-2-carboxamide?
N-(2-amino-1-cyclopropylethyl)-3,7-dimethyl-1-benzofuran-2-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 2.52, 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-cyclopropylethyl)-3,7-dimethyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 119617716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).