N-(2-aminocyclohexyl)-N-methyl-2,3-dihydro-1-benzofuran-3-carboxamide

C16H22N2O2 — CID 102638821

IUPACN-(2-aminocyclohexyl)-N-methyl-2,3-dihydro-1-benzofuran-3-carboxamide
SMILESCN(C(=O)C1COc2ccccc21)C1CCCCC1N
InChIInChI=1S/C16H22N2O2/c1-18(14-8-4-3-7-13(14)17)16(19)12-10-20-15-9-5-2-6-11(12)15/h2,5-6,9,12-14H,3-4,7-8,10,17H2,1H3
InChIKeyXCICOEUHPGPVOK-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.89
Rot. Bonds2

About N-(2-aminocyclohexyl)-N-methyl-2,3-dihydro-1-benzofuran-3-carboxamide

N-(2-aminocyclohexyl)-N-methyl-2,3-dihydro-1-benzofuran-3-carboxamide (PubChem CID 102638821) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-(2-aminocyclohexyl)-N-methyl-2,3-dihydro-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminocyclohexyl)-N-methyl-2,3-dihydro-1-benzofuran-3-carboxamide
PubChem CID102638821
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-(2-aminocyclohexyl)-N-methyl-2,3-dihydro-1-benzofuran-3-carboxamide
SMILESCN(C(=O)C1COc2ccccc21)C1CCCCC1N
InChIInChI=1S/C16H22N2O2/c1-18(14-8-4-3-7-13(14)17)16(19)12-10-20-15-9-5-2-6-11(12)15/h2,5-6,9,12-14H,3-4,7-8,10,17H2,1H3
InChIKeyXCICOEUHPGPVOK-UHFFFAOYSA-N
XLogP1.89
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

bis(2,3-dihydro-1-benzofuran-3-yl)methanone
CID 174352835
N-(2-bromoethyl)-N-cyclopentyl-2,3-dihydro-1-benzofuran-3-carboxamide
CID 80659005
N-ethyl-N-(piperidin-2-ylmethyl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 106626211
(3R)-N-methyl-N-[(7R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 96539220
methyl (3S)-2,3-dihydro-1-benzofuran-3-carboxylate
CID 95340884
N-methyl-N-(piperidin-3-ylmethyl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 106627941
N-(2-hydroxycyclohexyl)-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 102634428
2-[[(3S)-2,3-dihydro-1-benzofuran-3-carbonyl]-[2-(dimethylamino)ethyl]amino]acetic acid
CID 124677193
1-(2,3-dihydro-1-benzofuran-3-yl)-4-methylpent-4-en-1-one
CID 114473710
N-(2-aminocyclohexyl)-N,2-dimethylcyclopropane-1-carboxamide
CID 102638959
N-(2-aminocycloheptyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 63708325
3-N-cyclohexyl-3-N-methyl-3,4-dihydro-2H-chromene-3,4-diamine
CID 60725605

Frequently Asked Questions

What is the IUPAC name of N-(2-aminocyclohexyl)-N-methyl-2,3-dihydro-1-benzofuran-3-carboxamide?
The IUPAC name of N-(2-aminocyclohexyl)-N-methyl-2,3-dihydro-1-benzofuran-3-carboxamide (CID 102638821) is N-(2-aminocyclohexyl)-N-methyl-2,3-dihydro-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-(2-aminocyclohexyl)-N-methyl-2,3-dihydro-1-benzofuran-3-carboxamide?
The canonical SMILES for N-(2-aminocyclohexyl)-N-methyl-2,3-dihydro-1-benzofuran-3-carboxamide is CN(C(=O)C1COc2ccccc21)C1CCCCC1N.
What is the InChIKey of N-(2-aminocyclohexyl)-N-methyl-2,3-dihydro-1-benzofuran-3-carboxamide?
The InChIKey is XCICOEUHPGPVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-18(14-8-4-3-7-13(14)17)16(19)12-10-20-15-9-5-2-6-11(12)15/h2,5-6,9,12-14H,3-4,7-8,10,17H2,1H3.
What are the key properties of N-(2-aminocyclohexyl)-N-methyl-2,3-dihydro-1-benzofuran-3-carboxamide?
N-(2-aminocyclohexyl)-N-methyl-2,3-dihydro-1-benzofuran-3-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocyclohexyl)-N-methyl-2,3-dihydro-1-benzofuran-3-carboxamide is sourced from PubChem (CID 102638821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).