N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide

C26H30N2O5 — CID 3317225

IUPACN-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide
SMILESCc1ccc(CN(CCc2ccccc2)C(=O)CN(CC2CCCO2)C(=O)c2ccco2)o1
InChIInChI=1S/C26H30N2O5/c1-20-11-12-23(33-20)18-27(14-13-21-7-3-2-4-8-21)25(29)19-28(17-22-9-5-15-31-22)26(30)24-10-6-16-32-24/h2-4,6-8,10-12,16,22H,5,9,13-15,17-19H2,1H3
InChIKeyFZHRMFPBHVUPOT-UHFFFAOYSA-N
MW450.54 g/mol
LogP4.07
Rot. Bonds10

About N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide

N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide (PubChem CID 3317225) has the molecular formula C26H30N2O5 and a molecular weight of 450.54 g/mol. Its IUPAC name is N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide
PubChem CID3317225
Molecular FormulaC26H30N2O5
Molecular Weight450.54 g/mol
Exact Mass450.22
IUPAC NameN-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide
SMILESCc1ccc(CN(CCc2ccccc2)C(=O)CN(CC2CCCO2)C(=O)c2ccco2)o1
InChIInChI=1S/C26H30N2O5/c1-20-11-12-23(33-20)18-27(14-13-21-7-3-2-4-8-21)25(29)19-28(17-22-9-5-15-31-22)26(30)24-10-6-16-32-24/h2-4,6-8,10-12,16,22H,5,9,13-15,17-19H2,1H3
InChIKeyFZHRMFPBHVUPOT-UHFFFAOYSA-N
XLogP4.07
TPSA76.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide?
The IUPAC name of N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide (CID 3317225) is N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide?
The canonical SMILES for N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide is Cc1ccc(CN(CCc2ccccc2)C(=O)CN(CC2CCCO2)C(=O)c2ccco2)o1.
What is the InChIKey of N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide?
The InChIKey is FZHRMFPBHVUPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O5/c1-20-11-12-23(33-20)18-27(14-13-21-7-3-2-4-8-21)25(29)19-28(17-22-9-5-15-31-22)26(30)24-10-6-16-32-24/h2-4,6-8,10-12,16,22H,5,9,13-15,17-19H2,1H3.
What are the key properties of N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide?
N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide has a molecular weight of 450.54 g/mol, XLogP of 4.07, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 3317225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).