N-(4-aminocyclohexyl)-2-(1-benzofuran-2-yl)propanamide

C17H22N2O2 — CID 119476753

IUPACN-(4-aminocyclohexyl)-2-(1-benzofuran-2-yl)propanamide
SMILESCC(C(=O)NC1CCC(N)CC1)c1cc2ccccc2o1
InChIInChI=1S/C17H22N2O2/c1-11(16-10-12-4-2-3-5-15(12)21-16)17(20)19-14-8-6-13(18)7-9-14/h2-5,10-11,13-14H,6-9,18H2,1H3,(H,19,20)
InChIKeyWFGAIUZQEHPVBJ-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.92
Rot. Bonds3

About N-(4-aminocyclohexyl)-2-(1-benzofuran-2-yl)propanamide

N-(4-aminocyclohexyl)-2-(1-benzofuran-2-yl)propanamide (PubChem CID 119476753) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-2-(1-benzofuran-2-yl)propanamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-2-(1-benzofuran-2-yl)propanamide
PubChem CID119476753
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC NameN-(4-aminocyclohexyl)-2-(1-benzofuran-2-yl)propanamide
SMILESCC(C(=O)NC1CCC(N)CC1)c1cc2ccccc2o1
InChIInChI=1S/C17H22N2O2/c1-11(16-10-12-4-2-3-5-15(12)21-16)17(20)19-14-8-6-13(18)7-9-14/h2-5,10-11,13-14H,6-9,18H2,1H3,(H,19,20)
InChIKeyWFGAIUZQEHPVBJ-UHFFFAOYSA-N
XLogP2.92
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-[1-(1-benzofuran-2-yl)ethyl]cyclohexane-1,4-diamine
CID 62314222
N-(4-aminocyclohexyl)-2-oxochromene-3-carboxamide
CID 79112826
4-[[(1S)-1-(1-benzofuran-2-yl)ethyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122011260
N-[1-(1-benzofuran-2-yl)ethyl]cyclopropanamine
CID 18071242
2-(1-benzofuran-2-yl)-N-(2-piperidin-3-ylethyl)propanamide
CID 119557256
N-(1-amino-4-methylpentan-2-yl)-2-(1-benzofuran-2-yl)propanamide
CID 119587111
N-(4-aminocyclohexyl)-2-(3-chlorophenyl)propanamide;hydrochloride
CID 119478530
3-amino-N-[1-benzofuran-2-yl(phenyl)methyl]cyclopentane-1-carboxamide
CID 119697972
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(1-benzofuran-2-yl)propan-1-one;hydrochloride
CID 119518879
2-[[[1-(1-benzofuran-2-yl)ethylamino]-(cyclopropylamino)methylidene]amino]-N,N-dimethylacetamide
CID 119133281
1-[2-(1-aminoethyl)piperidin-1-yl]-2-(1-benzofuran-2-yl)propan-1-one;hydrochloride
CID 119436109
2-amino-N-[1-(1-benzofuran-2-yl)ethyl]cyclopentane-1-carboxamide
CID 64822765

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-2-(1-benzofuran-2-yl)propanamide?
The IUPAC name of N-(4-aminocyclohexyl)-2-(1-benzofuran-2-yl)propanamide (CID 119476753) is N-(4-aminocyclohexyl)-2-(1-benzofuran-2-yl)propanamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-2-(1-benzofuran-2-yl)propanamide?
The canonical SMILES for N-(4-aminocyclohexyl)-2-(1-benzofuran-2-yl)propanamide is CC(C(=O)NC1CCC(N)CC1)c1cc2ccccc2o1.
What is the InChIKey of N-(4-aminocyclohexyl)-2-(1-benzofuran-2-yl)propanamide?
The InChIKey is WFGAIUZQEHPVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-11(16-10-12-4-2-3-5-15(12)21-16)17(20)19-14-8-6-13(18)7-9-14/h2-5,10-11,13-14H,6-9,18H2,1H3,(H,19,20).
What are the key properties of N-(4-aminocyclohexyl)-2-(1-benzofuran-2-yl)propanamide?
N-(4-aminocyclohexyl)-2-(1-benzofuran-2-yl)propanamide has a molecular weight of 286.37 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-2-(1-benzofuran-2-yl)propanamide is sourced from PubChem (CID 119476753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).