5-[[[2-(4-phenylcyclohexyl)acetyl]amino]methyl]furan-2-carboxylic acid

C20H23NO4 — CID 119246162

IUPAC5-[[[2-(4-phenylcyclohexyl)acetyl]amino]methyl]furan-2-carboxylic acid
SMILESO=C(CC1CCC(c2ccccc2)CC1)NCc1ccc(C(=O)O)o1
InChIInChI=1S/C20H23NO4/c22-19(21-13-17-10-11-18(25-17)20(23)24)12-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-5,10-11,14,16H,6-9,12-13H2,(H,21,22)(H,23,24)
InChIKeyRPXIURWQYFTKNL-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.96
Rot. Bonds6

About 5-[[[2-(4-phenylcyclohexyl)acetyl]amino]methyl]furan-2-carboxylic acid

5-[[[2-(4-phenylcyclohexyl)acetyl]amino]methyl]furan-2-carboxylic acid (PubChem CID 119246162) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is 5-[[[2-(4-phenylcyclohexyl)acetyl]amino]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[[2-(4-phenylcyclohexyl)acetyl]amino]methyl]furan-2-carboxylic acid
PubChem CID119246162
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name5-[[[2-(4-phenylcyclohexyl)acetyl]amino]methyl]furan-2-carboxylic acid
SMILESO=C(CC1CCC(c2ccccc2)CC1)NCc1ccc(C(=O)O)o1
InChIInChI=1S/C20H23NO4/c22-19(21-13-17-10-11-18(25-17)20(23)24)12-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-5,10-11,14,16H,6-9,12-13H2,(H,21,22)(H,23,24)
InChIKeyRPXIURWQYFTKNL-UHFFFAOYSA-N
XLogP3.96
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-aminophenyl)ethyl]-2-(4-phenylcyclohexyl)acetamide
CID 119549120
N-(3-aminopropyl)-2-(4-phenylcyclohexyl)acetamide
CID 119407911
4-[[2-(4-phenylcyclohexyl)acetyl]amino]butanoic acid
CID 119170948
N-[4-(hydroxymethyl)phenyl]-2-(4-phenylcyclohexyl)acetamide
CID 121325134
2-methyl-3-[[2-(4-phenylcyclohexyl)acetyl]amino]propanoic acid
CID 119237415
2-cyclopropyl-N-[[5-(furan-2-yl)furan-2-yl]methyl]acetamide
CID 122160322
N-(2-ethylsulfonylethyl)-2-(4-phenylcyclohexyl)acetamide
CID 75407157
5-[[(2-benzylsulfanylacetyl)amino]methyl]furan-2-carboxylic acid
CID 79993972
5-[[[2-[3-(4-carboxyphenyl)piperidin-1-yl]acetyl]amino]methyl]furan-2-carboxylic acid
CID 72888055
5-[(adamantane-1-carbonylamino)methyl]furan-2-carboxylic acid
CID 119245737
5-(cyclopropylmethyl)furan-2-carboxylic acid
CID 83815892
5-[[[(2R,3S)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carbonyl]amino]methyl]furan-2-carboxylic acid
CID 125131790

Frequently Asked Questions

What is the IUPAC name of 5-[[[2-(4-phenylcyclohexyl)acetyl]amino]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[[2-(4-phenylcyclohexyl)acetyl]amino]methyl]furan-2-carboxylic acid (CID 119246162) is 5-[[[2-(4-phenylcyclohexyl)acetyl]amino]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[[2-(4-phenylcyclohexyl)acetyl]amino]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[[2-(4-phenylcyclohexyl)acetyl]amino]methyl]furan-2-carboxylic acid is O=C(CC1CCC(c2ccccc2)CC1)NCc1ccc(C(=O)O)o1.
What is the InChIKey of 5-[[[2-(4-phenylcyclohexyl)acetyl]amino]methyl]furan-2-carboxylic acid?
The InChIKey is RPXIURWQYFTKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c22-19(21-13-17-10-11-18(25-17)20(23)24)12-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-5,10-11,14,16H,6-9,12-13H2,(H,21,22)(H,23,24).
What are the key properties of 5-[[[2-(4-phenylcyclohexyl)acetyl]amino]methyl]furan-2-carboxylic acid?
5-[[[2-(4-phenylcyclohexyl)acetyl]amino]methyl]furan-2-carboxylic acid has a molecular weight of 341.41 g/mol, XLogP of 3.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[2-(4-phenylcyclohexyl)acetyl]amino]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 119246162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).