N-[(4-hydroxycyclohexyl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide

C16H21NO3 — CID 106124041

IUPACN-[(4-hydroxycyclohexyl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESO=C(NCC1CCC(O)CC1)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H21NO3/c18-14-4-1-11(2-5-14)10-17-16(19)13-3-6-15-12(9-13)7-8-20-15/h3,6,9,11,14,18H,1-2,4-5,7-8,10H2,(H,17,19)
InChIKeySVNZZQYLIJENDA-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.90
Rot. Bonds3

About N-[(4-hydroxycyclohexyl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide

N-[(4-hydroxycyclohexyl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide (PubChem CID 106124041) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[(4-hydroxycyclohexyl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxycyclohexyl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide
PubChem CID106124041
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC NameN-[(4-hydroxycyclohexyl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESO=C(NCC1CCC(O)CC1)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H21NO3/c18-14-4-1-11(2-5-14)10-17-16(19)13-3-6-15-12(9-13)7-8-20-15/h3,6,9,11,14,18H,1-2,4-5,7-8,10H2,(H,17,19)
InChIKeySVNZZQYLIJENDA-UHFFFAOYSA-N
XLogP1.90
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-hydroxycyclohexyl)methyl]-1,3-benzodioxole-5-carboxamide
CID 106123022
N-[3-(cyclopropylmethoxy)propyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 46493024
N-[(2-bromocyclopentyl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 113275372
N-(cyclopentylmethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 39212067
N-cyclopropyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 71942700
N-[3-(cyclopropylamino)propyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 62201269
N-[2-(methylamino)propyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 103512682
3,4-dichloro-N-[(4-hydroxycyclohexyl)methyl]benzamide
CID 106122138
N-(2-cyclopentyl-2-hydroxyethyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 111426308
N-[(4-hydroxycyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 106135432
N-[4-(cyclopropylmethylsulfamoyl)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 78863229
N-(2-methylprop-2-enyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 114618555

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxycyclohexyl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The IUPAC name of N-[(4-hydroxycyclohexyl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide (CID 106124041) is N-[(4-hydroxycyclohexyl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide.
What is the SMILES notation for N-[(4-hydroxycyclohexyl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The canonical SMILES for N-[(4-hydroxycyclohexyl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide is O=C(NCC1CCC(O)CC1)c1ccc2c(c1)CCO2.
What is the InChIKey of N-[(4-hydroxycyclohexyl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The InChIKey is SVNZZQYLIJENDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c18-14-4-1-11(2-5-14)10-17-16(19)13-3-6-15-12(9-13)7-8-20-15/h3,6,9,11,14,18H,1-2,4-5,7-8,10H2,(H,17,19).
What are the key properties of N-[(4-hydroxycyclohexyl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
N-[(4-hydroxycyclohexyl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxycyclohexyl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide is sourced from PubChem (CID 106124041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).