4-(2,3-dihydro-1-benzofuran-5-ylcarbamoyl)cyclohexane-1-carboxylic acid

C16H19NO4 — CID 120673090

IUPAC4-(2,3-dihydro-1-benzofuran-5-ylcarbamoyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)Nc2ccc3c(c2)CCO3)CC1
InChIInChI=1S/C16H19NO4/c18-15(10-1-3-11(4-2-10)16(19)20)17-13-5-6-14-12(9-13)7-8-21-14/h5-6,9-11H,1-4,7-8H2,(H,17,18)(H,19,20)
InChIKeyKXKVPPKFNJPPDW-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.45
Rot. Bonds3

About 4-(2,3-dihydro-1-benzofuran-5-ylcarbamoyl)cyclohexane-1-carboxylic acid

4-(2,3-dihydro-1-benzofuran-5-ylcarbamoyl)cyclohexane-1-carboxylic acid (PubChem CID 120673090) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is 4-(2,3-dihydro-1-benzofuran-5-ylcarbamoyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(2,3-dihydro-1-benzofuran-5-ylcarbamoyl)cyclohexane-1-carboxylic acid
PubChem CID120673090
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name4-(2,3-dihydro-1-benzofuran-5-ylcarbamoyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)Nc2ccc3c(c2)CCO3)CC1
InChIInChI=1S/C16H19NO4/c18-15(10-1-3-11(4-2-10)16(19)20)17-13-5-6-14-12(9-13)7-8-21-14/h5-6,9-11H,1-4,7-8H2,(H,17,18)(H,19,20)
InChIKeyKXKVPPKFNJPPDW-UHFFFAOYSA-N
XLogP2.45
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dihydro-1-benzofuran-5-ylcarbamoyl)cyclobutane-1-carboxylic acid
CID 120975485
3-amino-N-(2,3-dihydro-1-benzofuran-5-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119728515
N-(2,3-dihydro-1-benzofuran-5-yl)cyclohex-3-ene-1-carboxamide
CID 42951851
N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropanecarboxamide
CID 730787
N-(2,3-dihydro-1-benzofuran-5-yl)oxolane-2-carboxamide
CID 42951848
N-(2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)cyclopropanecarboxamide
CID 91909393
N-(2,3-dihydro-1-benzofuran-5-yl)-2-methylcyclopropane-1-carboxamide
CID 42951853
N-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpyrrolidine-3-carboxamide
CID 79388352
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)urea
CID 110866610
1-[4-(2,3-dihydro-1-benzofuran-5-carbonylamino)benzoyl]piperidine-4-carboxylic acid
CID 167849672
2-chloro-N-(2,3-dihydro-1-benzofuran-5-yl)acetamide
CID 43701447
4-(bromomethyl)-N-(2,3-dihydro-1-benzofuran-5-yl)benzamide
CID 102851182

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1-benzofuran-5-ylcarbamoyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(2,3-dihydro-1-benzofuran-5-ylcarbamoyl)cyclohexane-1-carboxylic acid (CID 120673090) is 4-(2,3-dihydro-1-benzofuran-5-ylcarbamoyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(2,3-dihydro-1-benzofuran-5-ylcarbamoyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(2,3-dihydro-1-benzofuran-5-ylcarbamoyl)cyclohexane-1-carboxylic acid is O=C(O)C1CCC(C(=O)Nc2ccc3c(c2)CCO3)CC1.
What is the InChIKey of 4-(2,3-dihydro-1-benzofuran-5-ylcarbamoyl)cyclohexane-1-carboxylic acid?
The InChIKey is KXKVPPKFNJPPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c18-15(10-1-3-11(4-2-10)16(19)20)17-13-5-6-14-12(9-13)7-8-21-14/h5-6,9-11H,1-4,7-8H2,(H,17,18)(H,19,20).
What are the key properties of 4-(2,3-dihydro-1-benzofuran-5-ylcarbamoyl)cyclohexane-1-carboxylic acid?
4-(2,3-dihydro-1-benzofuran-5-ylcarbamoyl)cyclohexane-1-carboxylic acid has a molecular weight of 289.33 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1-benzofuran-5-ylcarbamoyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120673090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).