5-[3-[[[4-(dimethylamino)benzoyl]amino]methyl]phenyl]-N-[2-(methylamino)-2-oxoethyl]furan-2-carboxamide

C24H26N4O4 — CID 143994860

IUPAC5-[3-[[[4-(dimethylamino)benzoyl]amino]methyl]phenyl]-N-[2-(methylamino)-2-oxoethyl]furan-2-carboxamide
SMILESCNC(=O)CNC(=O)c1ccc(-c2cccc(CNC(=O)c3ccc(N(C)C)cc3)c2)o1
InChIInChI=1S/C24H26N4O4/c1-25-22(29)15-27-24(31)21-12-11-20(32-21)18-6-4-5-16(13-18)14-26-23(30)17-7-9-19(10-8-17)28(2)3/h4-13H,14-15H2,1-3H3,(H,25,29)(H,26,30)(H,27,31)
InChIKeyAFXDURKKHYUYBA-UHFFFAOYSA-N
MW434.50 g/mol
LogP2.42
Rot. Bonds8

About 5-[3-[[[4-(dimethylamino)benzoyl]amino]methyl]phenyl]-N-[2-(methylamino)-2-oxoethyl]furan-2-carboxamide

5-[3-[[[4-(dimethylamino)benzoyl]amino]methyl]phenyl]-N-[2-(methylamino)-2-oxoethyl]furan-2-carboxamide (PubChem CID 143994860) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is 5-[3-[[[4-(dimethylamino)benzoyl]amino]methyl]phenyl]-N-[2-(methylamino)-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[3-[[[4-(dimethylamino)benzoyl]amino]methyl]phenyl]-N-[2-(methylamino)-2-oxoethyl]furan-2-carboxamide
PubChem CID143994860
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC Name5-[3-[[[4-(dimethylamino)benzoyl]amino]methyl]phenyl]-N-[2-(methylamino)-2-oxoethyl]furan-2-carboxamide
SMILESCNC(=O)CNC(=O)c1ccc(-c2cccc(CNC(=O)c3ccc(N(C)C)cc3)c2)o1
InChIInChI=1S/C24H26N4O4/c1-25-22(29)15-27-24(31)21-12-11-20(32-21)18-6-4-5-16(13-18)14-26-23(30)17-7-9-19(10-8-17)28(2)3/h4-13H,14-15H2,1-3H3,(H,25,29)(H,26,30)(H,27,31)
InChIKeyAFXDURKKHYUYBA-UHFFFAOYSA-N
XLogP2.42
TPSA103.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-[3-[[[4-(dimethylamino)benzoyl]amino]methyl]phenyl]-N-[2-(methylamino)-2-oxoethyl]furan-2-carboxamide with MolForge

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Related Compounds

5-[3-[(cyclohexanecarbonylamino)methyl]phenyl]-N-[2-(methylamino)-2-oxoethyl]furan-2-carboxamide;propane
CID 143994876
N-[[3-[5-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyridine-4-carboxamide
CID 91345166
5-[3-[[(4-methoxybenzoyl)amino]methyl]phenyl]-N-(2-oxoethyl)furan-2-carboxamide;N-methylmethanamine;propane
CID 143994894
N-[[3-[5-[[2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]morpholine-2-carboxamide;propane
CID 143994762
4-(dimethylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 27515025
2-methylpropyl N-[[4-[5-[[2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]carbamate
CID 143994869
N-[[4-(dimethylamino)phenyl]methyl]-3-methoxybenzamide
CID 17462321
4-(dimethylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 669457
N-[[3-(dimethylamino)phenyl]methyl]-4-fluorobenzamide
CID 110472543
5-(3-hydroxyphenyl)-N-[(4-methylphenyl)methyl]furan-2-carboxamide
CID 142532375
5-[3-[[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]methyl]phenyl]-N-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]furan-2-carboxamide
CID 70225485
3-methyl-N-[[3-[5-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyridine-2-carboxamide
CID 90738182

Frequently Asked Questions

What is the IUPAC name of 5-[3-[[[4-(dimethylamino)benzoyl]amino]methyl]phenyl]-N-[2-(methylamino)-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of 5-[3-[[[4-(dimethylamino)benzoyl]amino]methyl]phenyl]-N-[2-(methylamino)-2-oxoethyl]furan-2-carboxamide (CID 143994860) is 5-[3-[[[4-(dimethylamino)benzoyl]amino]methyl]phenyl]-N-[2-(methylamino)-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for 5-[3-[[[4-(dimethylamino)benzoyl]amino]methyl]phenyl]-N-[2-(methylamino)-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for 5-[3-[[[4-(dimethylamino)benzoyl]amino]methyl]phenyl]-N-[2-(methylamino)-2-oxoethyl]furan-2-carboxamide is CNC(=O)CNC(=O)c1ccc(-c2cccc(CNC(=O)c3ccc(N(C)C)cc3)c2)o1.
What is the InChIKey of 5-[3-[[[4-(dimethylamino)benzoyl]amino]methyl]phenyl]-N-[2-(methylamino)-2-oxoethyl]furan-2-carboxamide?
The InChIKey is AFXDURKKHYUYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4/c1-25-22(29)15-27-24(31)21-12-11-20(32-21)18-6-4-5-16(13-18)14-26-23(30)17-7-9-19(10-8-17)28(2)3/h4-13H,14-15H2,1-3H3,(H,25,29)(H,26,30)(H,27,31).
What are the key properties of 5-[3-[[[4-(dimethylamino)benzoyl]amino]methyl]phenyl]-N-[2-(methylamino)-2-oxoethyl]furan-2-carboxamide?
5-[3-[[[4-(dimethylamino)benzoyl]amino]methyl]phenyl]-N-[2-(methylamino)-2-oxoethyl]furan-2-carboxamide has a molecular weight of 434.50 g/mol, XLogP of 2.42, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[[[4-(dimethylamino)benzoyl]amino]methyl]phenyl]-N-[2-(methylamino)-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 143994860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).