N-[3-(3,4-dimethylanilino)-3-oxopropyl]-N-(furan-2-ylmethyl)-2,5-dimethylfuran-3-carboxamide

C23H26N2O4 — CID 1030454

IUPACN-[3-(3,4-dimethylanilino)-3-oxopropyl]-N-(furan-2-ylmethyl)-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)N(CCC(=O)Nc2ccc(C)c(C)c2)Cc2ccco2)c(C)o1
InChIInChI=1S/C23H26N2O4/c1-15-7-8-19(12-16(15)2)24-22(26)9-10-25(14-20-6-5-11-28-20)23(27)21-13-17(3)29-18(21)4/h5-8,11-13H,9-10,14H2,1-4H3,(H,24,26)
InChIKeyLJFOGLURRLJHFG-UHFFFAOYSA-N
MW394.47 g/mol
LogP4.78
Rot. Bonds7

About N-[3-(3,4-dimethylanilino)-3-oxopropyl]-N-(furan-2-ylmethyl)-2,5-dimethylfuran-3-carboxamide

N-[3-(3,4-dimethylanilino)-3-oxopropyl]-N-(furan-2-ylmethyl)-2,5-dimethylfuran-3-carboxamide (PubChem CID 1030454) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is N-[3-(3,4-dimethylanilino)-3-oxopropyl]-N-(furan-2-ylmethyl)-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[3-(3,4-dimethylanilino)-3-oxopropyl]-N-(furan-2-ylmethyl)-2,5-dimethylfuran-3-carboxamide
PubChem CID1030454
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC NameN-[3-(3,4-dimethylanilino)-3-oxopropyl]-N-(furan-2-ylmethyl)-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)N(CCC(=O)Nc2ccc(C)c(C)c2)Cc2ccco2)c(C)o1
InChIInChI=1S/C23H26N2O4/c1-15-7-8-19(12-16(15)2)24-22(26)9-10-25(14-20-6-5-11-28-20)23(27)21-13-17(3)29-18(21)4/h5-8,11-13H,9-10,14H2,1-4H3,(H,24,26)
InChIKeyLJFOGLURRLJHFG-UHFFFAOYSA-N
XLogP4.78
TPSA75.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[acetyl(furan-2-ylmethyl)amino]-N-(3,4-dimethylphenyl)propanamide
CID 113118081
N-(furan-2-ylmethyl)-2,5-dimethyl-N-[3-oxo-3-(2-phenylethylamino)propyl]furan-3-carboxamide
CID 5071057
N-(furan-2-ylmethyl)-2,5-dimethyl-N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]furan-3-carboxamide
CID 42779751
N-(furan-2-ylmethyl)-2,5-dimethyl-N-[3-oxo-3-(1-phenylethylamino)propyl]furan-3-carboxamide
CID 4115745
N-[3-[5-(diethylamino)pentan-2-ylamino]-3-oxopropyl]-N-(furan-2-ylmethyl)-2,5-dimethylfuran-3-carboxamide
CID 5075714
N-(furan-2-ylmethyl)-2,5-dimethyl-N-[3-[3-(2-methylpiperidin-1-yl)propylamino]-3-oxopropyl]furan-3-carboxamide
CID 4534902
N-(furan-2-ylmethyl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide
CID 1030450
N-[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]-N-(furan-2-ylmethyl)-2,5-dimethylfuran-3-carboxamide
CID 1030449
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(furan-2-ylmethyl)-2,5-dimethylfuran-3-carboxamide
CID 1030452
3-[acetyl(furan-2-ylmethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 113118178
3-[acetyl(furan-2-ylmethyl)amino]-N-[4-(diethylamino)phenyl]propanamide
CID 113118135
[4-[[(3,4-dimethylphenyl)carbamoyl-(furan-2-ylmethyl)amino]methyl]phenyl] ethanesulfonate
CID 4643429

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dimethylanilino)-3-oxopropyl]-N-(furan-2-ylmethyl)-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[3-(3,4-dimethylanilino)-3-oxopropyl]-N-(furan-2-ylmethyl)-2,5-dimethylfuran-3-carboxamide (CID 1030454) is N-[3-(3,4-dimethylanilino)-3-oxopropyl]-N-(furan-2-ylmethyl)-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[3-(3,4-dimethylanilino)-3-oxopropyl]-N-(furan-2-ylmethyl)-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[3-(3,4-dimethylanilino)-3-oxopropyl]-N-(furan-2-ylmethyl)-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)N(CCC(=O)Nc2ccc(C)c(C)c2)Cc2ccco2)c(C)o1.
What is the InChIKey of N-[3-(3,4-dimethylanilino)-3-oxopropyl]-N-(furan-2-ylmethyl)-2,5-dimethylfuran-3-carboxamide?
The InChIKey is LJFOGLURRLJHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-15-7-8-19(12-16(15)2)24-22(26)9-10-25(14-20-6-5-11-28-20)23(27)21-13-17(3)29-18(21)4/h5-8,11-13H,9-10,14H2,1-4H3,(H,24,26).
What are the key properties of N-[3-(3,4-dimethylanilino)-3-oxopropyl]-N-(furan-2-ylmethyl)-2,5-dimethylfuran-3-carboxamide?
N-[3-(3,4-dimethylanilino)-3-oxopropyl]-N-(furan-2-ylmethyl)-2,5-dimethylfuran-3-carboxamide has a molecular weight of 394.47 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dimethylanilino)-3-oxopropyl]-N-(furan-2-ylmethyl)-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 1030454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).