4-[[benzyl(furan-2-ylmethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid

C20H24N2O4 — CID 122025242

IUPAC4-[[benzyl(furan-2-ylmethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NC(=O)N(Cc2ccccc2)Cc2ccco2)CC1
InChIInChI=1S/C20H24N2O4/c23-19(24)16-8-10-17(11-9-16)21-20(25)22(14-18-7-4-12-26-18)13-15-5-2-1-3-6-15/h1-7,12,16-17H,8-11,13-14H2,(H,21,25)(H,23,24)
InChIKeyTVKGYBHBFHPAES-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.63
Rot. Bonds6

About 4-[[benzyl(furan-2-ylmethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid

4-[[benzyl(furan-2-ylmethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 122025242) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 4-[[benzyl(furan-2-ylmethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[benzyl(furan-2-ylmethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
PubChem CID122025242
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name4-[[benzyl(furan-2-ylmethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NC(=O)N(Cc2ccccc2)Cc2ccco2)CC1
InChIInChI=1S/C20H24N2O4/c23-19(24)16-8-10-17(11-9-16)21-20(25)22(14-18-7-4-12-26-18)13-15-5-2-1-3-6-15/h1-7,12,16-17H,8-11,13-14H2,(H,21,25)(H,23,24)
InChIKeyTVKGYBHBFHPAES-UHFFFAOYSA-N
XLogP3.63
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[benzyl(2,2-difluoroethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122024359
4-[[benzyl(cyclobutylmethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122025029
4-[[benzyl(oxan-4-ylmethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122023573
3-[[cyclopropyl(furan-2-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 66031040
N-benzyl-N-(furan-2-ylmethyl)cyclopentanecarboxamide
CID 52894765
3-cyclobutyl-1-ethyl-1-(furan-2-ylmethyl)urea
CID 115617674
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropylcyclopropanecarboxamide
CID 1058293
4-[[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
CID 60809869
trans-(1S,2S)-N-benzyl-N-(furan-2-ylmethyl)-2-methylcyclopropane-1-carboxamide
CID 94823542
4-[3-[acetyl(benzyl)amino]propanoylamino]cyclohexane-1-carboxylic acid
CID 119229266
4-[[cyclopropylmethyl-[(4-hydroxyphenyl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122023364
4-[cyclopropyl(furan-2-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63782822

Frequently Asked Questions

What is the IUPAC name of 4-[[benzyl(furan-2-ylmethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[benzyl(furan-2-ylmethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid (CID 122025242) is 4-[[benzyl(furan-2-ylmethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[benzyl(furan-2-ylmethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[benzyl(furan-2-ylmethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(NC(=O)N(Cc2ccccc2)Cc2ccco2)CC1.
What is the InChIKey of 4-[[benzyl(furan-2-ylmethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is TVKGYBHBFHPAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c23-19(24)16-8-10-17(11-9-16)21-20(25)22(14-18-7-4-12-26-18)13-15-5-2-1-3-6-15/h1-7,12,16-17H,8-11,13-14H2,(H,21,25)(H,23,24).
What are the key properties of 4-[[benzyl(furan-2-ylmethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
4-[[benzyl(furan-2-ylmethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 356.42 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[benzyl(furan-2-ylmethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122025242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).