3-[[[4-(cyclopropylcarbamoylamino)benzoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide

C24H24N4O4 — CID 55877912

IUPAC3-[[[4-(cyclopropylcarbamoylamino)benzoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
SMILESO=C(Nc1ccc(C(=O)NCc2cccc(C(=O)NCc3ccco3)c2)cc1)NC1CC1
InChIInChI=1S/C24H24N4O4/c29-22(17-6-8-19(9-7-17)27-24(31)28-20-10-11-20)25-14-16-3-1-4-18(13-16)23(30)26-15-21-5-2-12-32-21/h1-9,12-13,20H,10-11,14-15H2,(H,25,29)(H,26,30)(H2,27,28,31)
InChIKeyZNWWULANZWDXMF-UHFFFAOYSA-N
MW432.48 g/mol
LogP3.42
Rot. Bonds8

About 3-[[[4-(cyclopropylcarbamoylamino)benzoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide

3-[[[4-(cyclopropylcarbamoylamino)benzoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide (PubChem CID 55877912) has the molecular formula C24H24N4O4 and a molecular weight of 432.48 g/mol. Its IUPAC name is 3-[[[4-(cyclopropylcarbamoylamino)benzoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[[[4-(cyclopropylcarbamoylamino)benzoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
PubChem CID55877912
Molecular FormulaC24H24N4O4
Molecular Weight432.48 g/mol
Exact Mass432.18
IUPAC Name3-[[[4-(cyclopropylcarbamoylamino)benzoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
SMILESO=C(Nc1ccc(C(=O)NCc2cccc(C(=O)NCc3ccco3)c2)cc1)NC1CC1
InChIInChI=1S/C24H24N4O4/c29-22(17-6-8-19(9-7-17)27-24(31)28-20-10-11-20)25-14-16-3-1-4-18(13-16)23(30)26-15-21-5-2-12-32-21/h1-9,12-13,20H,10-11,14-15H2,(H,25,29)(H,26,30)(H2,27,28,31)
InChIKeyZNWWULANZWDXMF-UHFFFAOYSA-N
XLogP3.42
TPSA112.47 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 53.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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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-[4-(furan-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide
CID 976453
1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261
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-N-(4-acetamidophenyl)-1-N-(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109054046
N-(furan-2-ylmethyl)-3-[[(2-hydroxy-2-methylpropanoyl)amino]methyl]benzamide
CID 122147373
3-[(4-cyclohexylbutanoylamino)methyl]-N-(furan-2-ylmethyl)benzamide
CID 55878034
3-[[[(2R)-2-amino-3-hydroxypropanoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 167751843
3-(cyclopropylcarbamoylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 60527760

Frequently Asked Questions

What is the IUPAC name of 3-[[[4-(cyclopropylcarbamoylamino)benzoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 3-[[[4-(cyclopropylcarbamoylamino)benzoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide (CID 55877912) is 3-[[[4-(cyclopropylcarbamoylamino)benzoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 3-[[[4-(cyclopropylcarbamoylamino)benzoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 3-[[[4-(cyclopropylcarbamoylamino)benzoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide is O=C(Nc1ccc(C(=O)NCc2cccc(C(=O)NCc3ccco3)c2)cc1)NC1CC1.
What is the InChIKey of 3-[[[4-(cyclopropylcarbamoylamino)benzoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is ZNWWULANZWDXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4/c29-22(17-6-8-19(9-7-17)27-24(31)28-20-10-11-20)25-14-16-3-1-4-18(13-16)23(30)26-15-21-5-2-12-32-21/h1-9,12-13,20H,10-11,14-15H2,(H,25,29)(H,26,30)(H2,27,28,31).
What are the key properties of 3-[[[4-(cyclopropylcarbamoylamino)benzoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide?
3-[[[4-(cyclopropylcarbamoylamino)benzoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 432.48 g/mol, XLogP of 3.42, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[4-(cyclopropylcarbamoylamino)benzoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 55877912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).