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

C18H20N2O3 — CID 71890389

IUPAC3-[(cyclobutanecarbonylamino)methyl]-N-(furan-2-ylmethyl)benzamide
SMILESO=C(NCc1ccco1)c1cccc(CNC(=O)C2CCC2)c1
InChIInChI=1S/C18H20N2O3/c21-17(14-5-2-6-14)19-11-13-4-1-7-15(10-13)18(22)20-12-16-8-3-9-23-16/h1,3-4,7-10,14H,2,5-6,11-12H2,(H,19,21)(H,20,22)
InChIKeyLJTQAHDWHKUNLB-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.63
Rot. Bonds6

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

3-[(cyclobutanecarbonylamino)methyl]-N-(furan-2-ylmethyl)benzamide (PubChem CID 71890389) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 3-[(cyclobutanecarbonylamino)methyl]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[(cyclobutanecarbonylamino)methyl]-N-(furan-2-ylmethyl)benzamide
PubChem CID71890389
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name3-[(cyclobutanecarbonylamino)methyl]-N-(furan-2-ylmethyl)benzamide
SMILESO=C(NCc1ccco1)c1cccc(CNC(=O)C2CCC2)c1
InChIInChI=1S/C18H20N2O3/c21-17(14-5-2-6-14)19-11-13-4-1-7-15(10-13)18(22)20-12-16-8-3-9-23-16/h1,3-4,7-10,14H,2,5-6,11-12H2,(H,19,21)(H,20,22)
InChIKeyLJTQAHDWHKUNLB-UHFFFAOYSA-N
XLogP2.63
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1S,3S)-1-N,3-N-bis(furan-2-ylmethyl)cyclohexane-1,3-dicarboxamide
CID 94798892
1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261
3-[(4-cyclohexylbutanoylamino)methyl]-N-(furan-2-ylmethyl)benzamide
CID 55878034
N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]adamantane-1-carboxamide
CID 60532837
3-[[(N-cyclohexyl-N'-methylcarbamimidoyl)amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 110957426
3-N-(furan-2-ylmethyl)-1-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109053943
3-[[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 55866772
N-(furan-2-ylmethyl)-3-[[(2-hydroxy-2-methylpropanoyl)amino]methyl]benzamide
CID 122147373
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
N-(furan-2-ylmethyl)-3-[(3-hydroxypiperidin-1-yl)methyl]benzamide
CID 110900329

Frequently Asked Questions

What is the IUPAC name of 3-[(cyclobutanecarbonylamino)methyl]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 3-[(cyclobutanecarbonylamino)methyl]-N-(furan-2-ylmethyl)benzamide (CID 71890389) is 3-[(cyclobutanecarbonylamino)methyl]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 3-[(cyclobutanecarbonylamino)methyl]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 3-[(cyclobutanecarbonylamino)methyl]-N-(furan-2-ylmethyl)benzamide is O=C(NCc1ccco1)c1cccc(CNC(=O)C2CCC2)c1.
What is the InChIKey of 3-[(cyclobutanecarbonylamino)methyl]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is LJTQAHDWHKUNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c21-17(14-5-2-6-14)19-11-13-4-1-7-15(10-13)18(22)20-12-16-8-3-9-23-16/h1,3-4,7-10,14H,2,5-6,11-12H2,(H,19,21)(H,20,22).
What are the key properties of 3-[(cyclobutanecarbonylamino)methyl]-N-(furan-2-ylmethyl)benzamide?
3-[(cyclobutanecarbonylamino)methyl]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 312.37 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(cyclobutanecarbonylamino)methyl]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 71890389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).