3-[[4-(cyclohexylcarbamoylamino)butanoylamino]methyl]-N-(furan-2-ylmethyl)benzamide

C24H32N4O4 — CID 55924941

IUPAC3-[[4-(cyclohexylcarbamoylamino)butanoylamino]methyl]-N-(furan-2-ylmethyl)benzamide
SMILESO=C(CCCNC(=O)NC1CCCCC1)NCc1cccc(C(=O)NCc2ccco2)c1
InChIInChI=1S/C24H32N4O4/c29-22(12-5-13-25-24(31)28-20-9-2-1-3-10-20)26-16-18-7-4-8-19(15-18)23(30)27-17-21-11-6-14-32-21/h4,6-8,11,14-15,20H,1-3,5,9-10,12-13,16-17H2,(H,26,29)(H,27,30)(H2,25,28,31)
InChIKeyJQRODRMHRNWFFJ-UHFFFAOYSA-N
MW440.54 g/mol
LogP3.24
Rot. Bonds10

About 3-[[4-(cyclohexylcarbamoylamino)butanoylamino]methyl]-N-(furan-2-ylmethyl)benzamide

3-[[4-(cyclohexylcarbamoylamino)butanoylamino]methyl]-N-(furan-2-ylmethyl)benzamide (PubChem CID 55924941) has the molecular formula C24H32N4O4 and a molecular weight of 440.54 g/mol. Its IUPAC name is 3-[[4-(cyclohexylcarbamoylamino)butanoylamino]methyl]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[[4-(cyclohexylcarbamoylamino)butanoylamino]methyl]-N-(furan-2-ylmethyl)benzamide
PubChem CID55924941
Molecular FormulaC24H32N4O4
Molecular Weight440.54 g/mol
Exact Mass440.24
IUPAC Name3-[[4-(cyclohexylcarbamoylamino)butanoylamino]methyl]-N-(furan-2-ylmethyl)benzamide
SMILESO=C(CCCNC(=O)NC1CCCCC1)NCc1cccc(C(=O)NCc2ccco2)c1
InChIInChI=1S/C24H32N4O4/c29-22(12-5-13-25-24(31)28-20-9-2-1-3-10-20)26-16-18-7-4-8-19(15-18)23(30)27-17-21-11-6-14-32-21/h4,6-8,11,14-15,20H,1-3,5,9-10,12-13,16-17H2,(H,26,29)(H,27,30)(H2,25,28,31)
InChIKeyJQRODRMHRNWFFJ-UHFFFAOYSA-N
XLogP3.24
TPSA112.47 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 53.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(4-cyclohexylbutanoylamino)methyl]-N-(furan-2-ylmethyl)benzamide
CID 55878034
3-[[(N-cyclohexyl-N'-methylcarbamimidoyl)amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 110957426
3-[[[4-(cyclopropylcarbamoylamino)benzoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 55877912
2-(cyclohexylcarbamoylamino)-N-(furan-2-ylmethyl)acetamide
CID 47013398
3-[(cyclobutanecarbonylamino)methyl]-N-(furan-2-ylmethyl)benzamide
CID 71890389
N-cyclohexyl-3-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]benzamide
CID 54831186
N-cyclohexyl-3-[[2-[3-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54831065
N-[3-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methylamino]-3-oxopropyl]-2-methylbenzamide
CID 55877656
2-N-cyclopentyl-4-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109080870
5-N-cyclopentyl-3-N-(furan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109102679
3-[(cyclohexylcarbamoylamino)methyl]benzoic acid
CID 60894600
1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(cyclohexylcarbamoylamino)butanoylamino]methyl]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 3-[[4-(cyclohexylcarbamoylamino)butanoylamino]methyl]-N-(furan-2-ylmethyl)benzamide (CID 55924941) is 3-[[4-(cyclohexylcarbamoylamino)butanoylamino]methyl]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 3-[[4-(cyclohexylcarbamoylamino)butanoylamino]methyl]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 3-[[4-(cyclohexylcarbamoylamino)butanoylamino]methyl]-N-(furan-2-ylmethyl)benzamide is O=C(CCCNC(=O)NC1CCCCC1)NCc1cccc(C(=O)NCc2ccco2)c1.
What is the InChIKey of 3-[[4-(cyclohexylcarbamoylamino)butanoylamino]methyl]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is JQRODRMHRNWFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O4/c29-22(12-5-13-25-24(31)28-20-9-2-1-3-10-20)26-16-18-7-4-8-19(15-18)23(30)27-17-21-11-6-14-32-21/h4,6-8,11,14-15,20H,1-3,5,9-10,12-13,16-17H2,(H,26,29)(H,27,30)(H2,25,28,31).
What are the key properties of 3-[[4-(cyclohexylcarbamoylamino)butanoylamino]methyl]-N-(furan-2-ylmethyl)benzamide?
3-[[4-(cyclohexylcarbamoylamino)butanoylamino]methyl]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 440.54 g/mol, XLogP of 3.24, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(cyclohexylcarbamoylamino)butanoylamino]methyl]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 55924941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).