N-(furan-2-ylmethyl)-2,5-dimethyl-N-[3-oxo-3-(1-phenylethylamino)propyl]furan-3-carboxamide

C23H26N2O4 — CID 4115745

IUPACN-(furan-2-ylmethyl)-2,5-dimethyl-N-[3-oxo-3-(1-phenylethylamino)propyl]furan-3-carboxamide
SMILESCc1cc(C(=O)N(CCC(=O)NC(C)c2ccccc2)Cc2ccco2)c(C)o1
InChIInChI=1S/C23H26N2O4/c1-16-14-21(18(3)29-16)23(27)25(15-20-10-7-13-28-20)12-11-22(26)24-17(2)19-8-5-4-6-9-19/h4-10,13-14,17H,11-12,15H2,1-3H3,(H,24,26)
InChIKeySXLZRKKIHYLHHZ-UHFFFAOYSA-N
MW394.47 g/mol
LogP4.40
Rot. Bonds8

About N-(furan-2-ylmethyl)-2,5-dimethyl-N-[3-oxo-3-(1-phenylethylamino)propyl]furan-3-carboxamide

N-(furan-2-ylmethyl)-2,5-dimethyl-N-[3-oxo-3-(1-phenylethylamino)propyl]furan-3-carboxamide (PubChem CID 4115745) 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-(1-phenylethylamino)propyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2,5-dimethyl-N-[3-oxo-3-(1-phenylethylamino)propyl]furan-3-carboxamide
PubChem CID4115745
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC NameN-(furan-2-ylmethyl)-2,5-dimethyl-N-[3-oxo-3-(1-phenylethylamino)propyl]furan-3-carboxamide
SMILESCc1cc(C(=O)N(CCC(=O)NC(C)c2ccccc2)Cc2ccco2)c(C)o1
InChIInChI=1S/C23H26N2O4/c1-16-14-21(18(3)29-16)23(27)25(15-20-10-7-13-28-20)12-11-22(26)24-17(2)19-8-5-4-6-9-19/h4-10,13-14,17H,11-12,15H2,1-3H3,(H,24,26)
InChIKeySXLZRKKIHYLHHZ-UHFFFAOYSA-N
XLogP4.40
TPSA75.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(furan-2-ylmethyl)-2,5-dimethyl-N-[3-oxo-3-(1-phenylethylamino)propyl]furan-3-carboxamide with MolForge

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Related Compounds

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-oxo-3-(2-phenylethylamino)propyl]furan-3-carboxamide
CID 5071057
N-[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]-N-(furan-2-ylmethyl)-2,5-dimethylfuran-3-carboxamide
CID 1030449
N-(furan-2-ylmethyl)-5-methyl-N-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]pyrazine-2-carboxamide
CID 7232177
N-[3-(3,4-dimethylanilino)-3-oxopropyl]-N-(furan-2-ylmethyl)-2,5-dimethylfuran-3-carboxamide
CID 1030454
N-(furan-2-ylmethyl)-2,5-dimethyl-N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]furan-3-carboxamide
CID 42779751
N-benzyl-N-[3-(butan-2-ylamino)-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide
CID 42780264
3-[(2-bromophenyl)carbamoyl-(furan-2-ylmethyl)amino]-N-(1-phenylethyl)propanamide
CID 42699907
2-[acetyl(furan-2-ylmethyl)amino]-N-(1-phenylethyl)acetamide
CID 113160988
N-benzyl-N-[3-(tert-butylamino)-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide
CID 4154565
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(furan-2-ylmethyl)-2,5-dimethylfuran-3-carboxamide
CID 1030452
N-(furan-2-ylmethyl)-2,5-dimethyl-N-[3-[3-(2-methylpiperidin-1-yl)propylamino]-3-oxopropyl]furan-3-carboxamide
CID 4534902

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2,5-dimethyl-N-[3-oxo-3-(1-phenylethylamino)propyl]furan-3-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-2,5-dimethyl-N-[3-oxo-3-(1-phenylethylamino)propyl]furan-3-carboxamide (CID 4115745) is N-(furan-2-ylmethyl)-2,5-dimethyl-N-[3-oxo-3-(1-phenylethylamino)propyl]furan-3-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2,5-dimethyl-N-[3-oxo-3-(1-phenylethylamino)propyl]furan-3-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2,5-dimethyl-N-[3-oxo-3-(1-phenylethylamino)propyl]furan-3-carboxamide is Cc1cc(C(=O)N(CCC(=O)NC(C)c2ccccc2)Cc2ccco2)c(C)o1.
What is the InChIKey of N-(furan-2-ylmethyl)-2,5-dimethyl-N-[3-oxo-3-(1-phenylethylamino)propyl]furan-3-carboxamide?
The InChIKey is SXLZRKKIHYLHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-16-14-21(18(3)29-16)23(27)25(15-20-10-7-13-28-20)12-11-22(26)24-17(2)19-8-5-4-6-9-19/h4-10,13-14,17H,11-12,15H2,1-3H3,(H,24,26).
What are the key properties of N-(furan-2-ylmethyl)-2,5-dimethyl-N-[3-oxo-3-(1-phenylethylamino)propyl]furan-3-carboxamide?
N-(furan-2-ylmethyl)-2,5-dimethyl-N-[3-oxo-3-(1-phenylethylamino)propyl]furan-3-carboxamide has a molecular weight of 394.47 g/mol, XLogP of 4.40, 8 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-(1-phenylethylamino)propyl]furan-3-carboxamide is sourced from PubChem (CID 4115745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).