N-(furan-2-ylmethyl)-2,5-dimethyl-N-[3-oxo-3-(2-phenylethylamino)propyl]furan-3-carboxamide

C23H26N2O4 — CID 5071057

IUPACN-(furan-2-ylmethyl)-2,5-dimethyl-N-[3-oxo-3-(2-phenylethylamino)propyl]furan-3-carboxamide
SMILESCc1cc(C(=O)N(CCC(=O)NCCc2ccccc2)Cc2ccco2)c(C)o1
InChIInChI=1S/C23H26N2O4/c1-17-15-21(18(2)29-17)23(27)25(16-20-9-6-14-28-20)13-11-22(26)24-12-10-19-7-4-3-5-8-19/h3-9,14-15H,10-13,16H2,1-2H3,(H,24,26)
InChIKeyQJRFPSSXCMDLFM-UHFFFAOYSA-N
MW394.47 g/mol
LogP3.88
Rot. Bonds9

About N-(furan-2-ylmethyl)-2,5-dimethyl-N-[3-oxo-3-(2-phenylethylamino)propyl]furan-3-carboxamide

N-(furan-2-ylmethyl)-2,5-dimethyl-N-[3-oxo-3-(2-phenylethylamino)propyl]furan-3-carboxamide (PubChem CID 5071057) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2,5-dimethyl-N-[3-oxo-3-(2-phenylethylamino)propyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2,5-dimethyl-N-[3-oxo-3-(2-phenylethylamino)propyl]furan-3-carboxamide
PubChem CID5071057
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC NameN-(furan-2-ylmethyl)-2,5-dimethyl-N-[3-oxo-3-(2-phenylethylamino)propyl]furan-3-carboxamide
SMILESCc1cc(C(=O)N(CCC(=O)NCCc2ccccc2)Cc2ccco2)c(C)o1
InChIInChI=1S/C23H26N2O4/c1-17-15-21(18(2)29-17)23(27)25(16-20-9-6-14-28-20)13-11-22(26)24-12-10-19-7-4-3-5-8-19/h3-9,14-15H,10-13,16H2,1-2H3,(H,24,26)
InChIKeyQJRFPSSXCMDLFM-UHFFFAOYSA-N
XLogP3.88
TPSA75.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(furan-2-ylmethyl)-2,5-dimethyl-N-[3-oxo-3-(2-phenylethylamino)propyl]furan-3-carboxamide with MolForge

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Related Compounds

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-(3,4-dimethylanilino)-3-oxopropyl]-N-(furan-2-ylmethyl)-2,5-dimethylfuran-3-carboxamide
CID 1030454
N-cyclopropyl-2,5-dimethyl-N-[3-oxo-3-(2-phenylethylamino)propyl]furan-3-carboxamide
CID 5203446
N-(furan-2-ylmethyl)-2,5-dimethyl-N-[3-[3-(2-methylpiperidin-1-yl)propylamino]-3-oxopropyl]furan-3-carboxamide
CID 4534902
N-[3-[5-(diethylamino)pentan-2-ylamino]-3-oxopropyl]-N-(furan-2-ylmethyl)-2,5-dimethylfuran-3-carboxamide
CID 5075714
N-[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]-N-(furan-2-ylmethyl)-2,5-dimethylfuran-3-carboxamide
CID 1030449
3-[furan-2-ylmethyl(methylsulfonyl)amino]-N-(2-phenylethyl)propanamide
CID 113138485
N-benzyl-N-[3-(tert-butylamino)-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide
CID 4154565
N-[3-(benzylamino)-3-oxopropyl]-2,5-dimethyl-N-propylfuran-3-carboxamide
CID 42779701
N-benzyl-N-[3-(cyclopropylamino)-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide
CID 815268
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(furan-2-ylmethyl)-2,5-dimethylfuran-3-carboxamide
CID 1030452

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2,5-dimethyl-N-[3-oxo-3-(2-phenylethylamino)propyl]furan-3-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-2,5-dimethyl-N-[3-oxo-3-(2-phenylethylamino)propyl]furan-3-carboxamide (CID 5071057) is N-(furan-2-ylmethyl)-2,5-dimethyl-N-[3-oxo-3-(2-phenylethylamino)propyl]furan-3-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2,5-dimethyl-N-[3-oxo-3-(2-phenylethylamino)propyl]furan-3-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2,5-dimethyl-N-[3-oxo-3-(2-phenylethylamino)propyl]furan-3-carboxamide is Cc1cc(C(=O)N(CCC(=O)NCCc2ccccc2)Cc2ccco2)c(C)o1.
What is the InChIKey of N-(furan-2-ylmethyl)-2,5-dimethyl-N-[3-oxo-3-(2-phenylethylamino)propyl]furan-3-carboxamide?
The InChIKey is QJRFPSSXCMDLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-17-15-21(18(2)29-17)23(27)25(16-20-9-6-14-28-20)13-11-22(26)24-12-10-19-7-4-3-5-8-19/h3-9,14-15H,10-13,16H2,1-2H3,(H,24,26).
What are the key properties of N-(furan-2-ylmethyl)-2,5-dimethyl-N-[3-oxo-3-(2-phenylethylamino)propyl]furan-3-carboxamide?
N-(furan-2-ylmethyl)-2,5-dimethyl-N-[3-oxo-3-(2-phenylethylamino)propyl]furan-3-carboxamide has a molecular weight of 394.47 g/mol, XLogP of 3.88, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2,5-dimethyl-N-[3-oxo-3-(2-phenylethylamino)propyl]furan-3-carboxamide is sourced from PubChem (CID 5071057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).