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

C23H30N2O3 — CID 55878034

IUPAC3-[(4-cyclohexylbutanoylamino)methyl]-N-(furan-2-ylmethyl)benzamide
SMILESO=C(CCCC1CCCCC1)NCc1cccc(C(=O)NCc2ccco2)c1
InChIInChI=1S/C23H30N2O3/c26-22(13-5-9-18-7-2-1-3-8-18)24-16-19-10-4-11-20(15-19)23(27)25-17-21-12-6-14-28-21/h4,6,10-12,14-15,18H,1-3,5,7-9,13,16-17H2,(H,24,26)(H,25,27)
InChIKeySQHCKWMSTKYJQS-UHFFFAOYSA-N
MW382.50 g/mol
LogP4.58
Rot. Bonds9

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

3-[(4-cyclohexylbutanoylamino)methyl]-N-(furan-2-ylmethyl)benzamide (PubChem CID 55878034) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is 3-[(4-cyclohexylbutanoylamino)methyl]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[(4-cyclohexylbutanoylamino)methyl]-N-(furan-2-ylmethyl)benzamide
PubChem CID55878034
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name3-[(4-cyclohexylbutanoylamino)methyl]-N-(furan-2-ylmethyl)benzamide
SMILESO=C(CCCC1CCCCC1)NCc1cccc(C(=O)NCc2ccco2)c1
InChIInChI=1S/C23H30N2O3/c26-22(13-5-9-18-7-2-1-3-8-18)24-16-19-10-4-11-20(15-19)23(27)25-17-21-12-6-14-28-21/h4,6,10-12,14-15,18H,1-3,5,7-9,13,16-17H2,(H,24,26)(H,25,27)
InChIKeySQHCKWMSTKYJQS-UHFFFAOYSA-N
XLogP4.58
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[4-(cyclohexylcarbamoylamino)butanoylamino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 55924941
3-[(cyclobutanecarbonylamino)methyl]-N-(furan-2-ylmethyl)benzamide
CID 71890389
3-[[(N-cyclohexyl-N'-methylcarbamimidoyl)amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 110957426
N-(furan-2-ylmethyl)-3-[[(2-hydroxy-2-methylpropanoyl)amino]methyl]benzamide
CID 122147373
1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261
N-[3-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methylamino]-3-oxopropyl]-2-methylbenzamide
CID 55877656
N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]adamantane-1-carboxamide
CID 60532837
3-N-(furan-2-ylmethyl)-1-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109053943
3-[[[4-(cyclopropylcarbamoylamino)benzoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 55877912
N-(furan-2-ylmethyl)-3-[[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]methyl]benzamide
CID 95268952
3-[[[(2R)-2-amino-3-hydroxypropanoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 167751843
3-[[[2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 55876508

Frequently Asked Questions

What is the IUPAC name of 3-[(4-cyclohexylbutanoylamino)methyl]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 3-[(4-cyclohexylbutanoylamino)methyl]-N-(furan-2-ylmethyl)benzamide (CID 55878034) is 3-[(4-cyclohexylbutanoylamino)methyl]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 3-[(4-cyclohexylbutanoylamino)methyl]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 3-[(4-cyclohexylbutanoylamino)methyl]-N-(furan-2-ylmethyl)benzamide is O=C(CCCC1CCCCC1)NCc1cccc(C(=O)NCc2ccco2)c1.
What is the InChIKey of 3-[(4-cyclohexylbutanoylamino)methyl]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is SQHCKWMSTKYJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c26-22(13-5-9-18-7-2-1-3-8-18)24-16-19-10-4-11-20(15-19)23(27)25-17-21-12-6-14-28-21/h4,6,10-12,14-15,18H,1-3,5,7-9,13,16-17H2,(H,24,26)(H,25,27).
What are the key properties of 3-[(4-cyclohexylbutanoylamino)methyl]-N-(furan-2-ylmethyl)benzamide?
3-[(4-cyclohexylbutanoylamino)methyl]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 382.50 g/mol, XLogP of 4.58, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-cyclohexylbutanoylamino)methyl]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 55878034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).