4-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]cyclohexane-1-carboxamide

C15H20N2O3 — CID 43748903

IUPAC4-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]cyclohexane-1-carboxamide
SMILESNC(=O)C1CCC(NC2COc3cc(O)ccc32)CC1
InChIInChI=1S/C15H20N2O3/c16-15(19)9-1-3-10(4-2-9)17-13-8-20-14-7-11(18)5-6-12(13)14/h5-7,9-10,13,17-18H,1-4,8H2,(H2,16,19)
InChIKeyHZLABLSQSJUEBR-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.46
Rot. Bonds3

About 4-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]cyclohexane-1-carboxamide

4-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]cyclohexane-1-carboxamide (PubChem CID 43748903) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]cyclohexane-1-carboxamide
PubChem CID43748903
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name4-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]cyclohexane-1-carboxamide
SMILESNC(=O)C1CCC(NC2COc3cc(O)ccc32)CC1
InChIInChI=1S/C15H20N2O3/c16-15(19)9-1-3-10(4-2-9)17-13-8-20-14-7-11(18)5-6-12(13)14/h5-7,9-10,13,17-18H,1-4,8H2,(H2,16,19)
InChIKeyHZLABLSQSJUEBR-UHFFFAOYSA-N
XLogP1.46
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cyclobutylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 62416499
3-(oxan-4-ylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 43609955
3-[(3,3-dimethylcyclopentyl)amino]-2,3-dihydro-1-benzofuran-6-ol
CID 114544160
3-[(1-propylpiperidin-4-yl)amino]-2,3-dihydro-1-benzofuran-6-ol
CID 43206706
3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-2,3-dihydro-1-benzofuran-6-ol
CID 43205194
3-[(1-butylpiperidin-4-yl)amino]-2,3-dihydro-1-benzofuran-6-ol
CID 43748390
3-[(2-methylcyclohexyl)amino]-2,3-dihydro-1-benzofuran-6-ol
CID 43194977
2-[4-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]phenyl]acetamide
CID 43724199
3-[(2-tert-butylcyclohexyl)amino]-2,3-dihydro-1-benzofuran-6-ol
CID 43673932
3-[(2,2-dimethylcyclopentyl)amino]-2,3-dihydro-1-benzofuran-6-ol
CID 79861874
methyl 2-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]acetate
CID 43190825
3-(2,6-dibromoanilino)-2,3-dihydro-1-benzofuran-6-ol
CID 107596905

Frequently Asked Questions

What is the IUPAC name of 4-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]cyclohexane-1-carboxamide?
The IUPAC name of 4-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]cyclohexane-1-carboxamide (CID 43748903) is 4-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]cyclohexane-1-carboxamide is NC(=O)C1CCC(NC2COc3cc(O)ccc32)CC1.
What is the InChIKey of 4-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]cyclohexane-1-carboxamide?
The InChIKey is HZLABLSQSJUEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c16-15(19)9-1-3-10(4-2-9)17-13-8-20-14-7-11(18)5-6-12(13)14/h5-7,9-10,13,17-18H,1-4,8H2,(H2,16,19).
What are the key properties of 4-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]cyclohexane-1-carboxamide?
4-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]cyclohexane-1-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 1.46, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 43748903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).