5-tert-butyl-N-[3-[(5-tert-butyl-3-methylfuran-2-carbonyl)amino]propyl]-3-methylfuran-2-carboxamide

C23H34N2O4 — CID 3153878

IUPAC5-tert-butyl-N-[3-[(5-tert-butyl-3-methylfuran-2-carbonyl)amino]propyl]-3-methylfuran-2-carboxamide
SMILESCc1cc(C(C)(C)C)oc1C(=O)NCCCNC(=O)c1oc(C(C)(C)C)cc1C
InChIInChI=1S/C23H34N2O4/c1-14-12-16(22(3,4)5)28-18(14)20(26)24-10-9-11-25-21(27)19-15(2)13-17(29-19)23(6,7)8/h12-13H,9-11H2,1-8H3,(H,24,26)(H,25,27)
InChIKeyGMZKIIBEMYADPC-UHFFFAOYSA-N
MW402.54 g/mol
LogP4.63
Rot. Bonds6

About 5-tert-butyl-N-[3-[(5-tert-butyl-3-methylfuran-2-carbonyl)amino]propyl]-3-methylfuran-2-carboxamide

5-tert-butyl-N-[3-[(5-tert-butyl-3-methylfuran-2-carbonyl)amino]propyl]-3-methylfuran-2-carboxamide (PubChem CID 3153878) has the molecular formula C23H34N2O4 and a molecular weight of 402.54 g/mol. Its IUPAC name is 5-tert-butyl-N-[3-[(5-tert-butyl-3-methylfuran-2-carbonyl)amino]propyl]-3-methylfuran-2-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-N-[3-[(5-tert-butyl-3-methylfuran-2-carbonyl)amino]propyl]-3-methylfuran-2-carboxamide
PubChem CID3153878
Molecular FormulaC23H34N2O4
Molecular Weight402.54 g/mol
Exact Mass402.25
IUPAC Name5-tert-butyl-N-[3-[(5-tert-butyl-3-methylfuran-2-carbonyl)amino]propyl]-3-methylfuran-2-carboxamide
SMILESCc1cc(C(C)(C)C)oc1C(=O)NCCCNC(=O)c1oc(C(C)(C)C)cc1C
InChIInChI=1S/C23H34N2O4/c1-14-12-16(22(3,4)5)28-18(14)20(26)24-10-9-11-25-21(27)19-15(2)13-17(29-19)23(6,7)8/h12-13H,9-11H2,1-8H3,(H,24,26)(H,25,27)
InChIKeyGMZKIIBEMYADPC-UHFFFAOYSA-N
XLogP4.63
TPSA84.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 54.63
H-Bond Donors ≤ 52
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 5-tert-butyl-N-[3-[(5-tert-butyl-3-methylfuran-2-carbonyl)amino]propyl]-3-methylfuran-2-carboxamide?
The IUPAC name of 5-tert-butyl-N-[3-[(5-tert-butyl-3-methylfuran-2-carbonyl)amino]propyl]-3-methylfuran-2-carboxamide (CID 3153878) is 5-tert-butyl-N-[3-[(5-tert-butyl-3-methylfuran-2-carbonyl)amino]propyl]-3-methylfuran-2-carboxamide.
What is the SMILES notation for 5-tert-butyl-N-[3-[(5-tert-butyl-3-methylfuran-2-carbonyl)amino]propyl]-3-methylfuran-2-carboxamide?
The canonical SMILES for 5-tert-butyl-N-[3-[(5-tert-butyl-3-methylfuran-2-carbonyl)amino]propyl]-3-methylfuran-2-carboxamide is Cc1cc(C(C)(C)C)oc1C(=O)NCCCNC(=O)c1oc(C(C)(C)C)cc1C.
What is the InChIKey of 5-tert-butyl-N-[3-[(5-tert-butyl-3-methylfuran-2-carbonyl)amino]propyl]-3-methylfuran-2-carboxamide?
The InChIKey is GMZKIIBEMYADPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O4/c1-14-12-16(22(3,4)5)28-18(14)20(26)24-10-9-11-25-21(27)19-15(2)13-17(29-19)23(6,7)8/h12-13H,9-11H2,1-8H3,(H,24,26)(H,25,27).
What are the key properties of 5-tert-butyl-N-[3-[(5-tert-butyl-3-methylfuran-2-carbonyl)amino]propyl]-3-methylfuran-2-carboxamide?
5-tert-butyl-N-[3-[(5-tert-butyl-3-methylfuran-2-carbonyl)amino]propyl]-3-methylfuran-2-carboxamide has a molecular weight of 402.54 g/mol, XLogP of 4.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-[3-[(5-tert-butyl-3-methylfuran-2-carbonyl)amino]propyl]-3-methylfuran-2-carboxamide is sourced from PubChem (CID 3153878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).