N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-pentylfuran-2-carboxamide

C26H32N2O4 — CID 4233176

IUPACN-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-pentylfuran-2-carboxamide
SMILESCCCCCN(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)C(=O)c1ccco1
InChIInChI=1S/C26H32N2O4/c1-3-4-8-16-28(26(30)24-12-9-18-31-24)20-25(29)27(19-23-14-13-21(2)32-23)17-15-22-10-6-5-7-11-22/h5-7,9-14,18H,3-4,8,15-17,19-20H2,1-2H3
InChIKeyKEPFOZFVLLEVLE-UHFFFAOYSA-N
MW436.55 g/mol
LogP5.08
Rot. Bonds12

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

N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-pentylfuran-2-carboxamide (PubChem CID 4233176) has the molecular formula C26H32N2O4 and a molecular weight of 436.55 g/mol. Its IUPAC name is N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-pentylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-pentylfuran-2-carboxamide
PubChem CID4233176
Molecular FormulaC26H32N2O4
Molecular Weight436.55 g/mol
Exact Mass436.24
IUPAC NameN-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-pentylfuran-2-carboxamide
SMILESCCCCCN(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)C(=O)c1ccco1
InChIInChI=1S/C26H32N2O4/c1-3-4-8-16-28(26(30)24-12-9-18-31-24)20-25(29)27(19-23-14-13-21(2)32-23)17-15-22-10-6-5-7-11-22/h5-7,9-14,18H,3-4,8,15-17,19-20H2,1-2H3
InChIKeyKEPFOZFVLLEVLE-UHFFFAOYSA-N
XLogP5.08
TPSA66.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.55
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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-pentylfuran-2-carboxamide?
The IUPAC name of N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-pentylfuran-2-carboxamide (CID 4233176) is N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-pentylfuran-2-carboxamide.
What is the SMILES notation for N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-pentylfuran-2-carboxamide?
The canonical SMILES for N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-pentylfuran-2-carboxamide is CCCCCN(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)C(=O)c1ccco1.
What is the InChIKey of N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-pentylfuran-2-carboxamide?
The InChIKey is KEPFOZFVLLEVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O4/c1-3-4-8-16-28(26(30)24-12-9-18-31-24)20-25(29)27(19-23-14-13-21(2)32-23)17-15-22-10-6-5-7-11-22/h5-7,9-14,18H,3-4,8,15-17,19-20H2,1-2H3.
What are the key properties of N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-pentylfuran-2-carboxamide?
N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-pentylfuran-2-carboxamide has a molecular weight of 436.55 g/mol, XLogP of 5.08, 12 rotatable bonds, 0 hydrogen bond donors, and 4 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-pentylfuran-2-carboxamide is sourced from PubChem (CID 4233176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).