N,N-dibutyl-5-oxo-2,3-diphenyl-2H-furan-4-carboxamide

C25H29NO3 — CID 70977278

IUPACN,N-dibutyl-5-oxo-2,3-diphenyl-2H-furan-4-carboxamide
SMILESCCCCN(CCCC)C(=O)C1=C(c2ccccc2)C(c2ccccc2)OC1=O
InChIInChI=1S/C25H29NO3/c1-3-5-17-26(18-6-4-2)24(27)22-21(19-13-9-7-10-14-19)23(29-25(22)28)20-15-11-8-12-16-20/h7-16,23H,3-6,17-18H2,1-2H3
InChIKeyDVIORRZRQRLPIP-UHFFFAOYSA-N
MW391.51 g/mol
LogP5.17
Rot. Bonds9

About N,N-dibutyl-5-oxo-2,3-diphenyl-2H-furan-4-carboxamide

N,N-dibutyl-5-oxo-2,3-diphenyl-2H-furan-4-carboxamide (PubChem CID 70977278) has the molecular formula C25H29NO3 and a molecular weight of 391.51 g/mol. Its IUPAC name is N,N-dibutyl-5-oxo-2,3-diphenyl-2H-furan-4-carboxamide.

Molecular Properties

Compound NameN,N-dibutyl-5-oxo-2,3-diphenyl-2H-furan-4-carboxamide
PubChem CID70977278
Molecular FormulaC25H29NO3
Molecular Weight391.51 g/mol
Exact Mass391.21
IUPAC NameN,N-dibutyl-5-oxo-2,3-diphenyl-2H-furan-4-carboxamide
SMILESCCCCN(CCCC)C(=O)C1=C(c2ccccc2)C(c2ccccc2)OC1=O
InChIInChI=1S/C25H29NO3/c1-3-5-17-26(18-6-4-2)24(27)22-21(19-13-9-7-10-14-19)23(29-25(22)28)20-15-11-8-12-16-20/h7-16,23H,3-6,17-18H2,1-2H3
InChIKeyDVIORRZRQRLPIP-UHFFFAOYSA-N
XLogP5.17
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.51
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-5-oxo-2,3-diphenyl-2H-furan-4-carboxamide?
The IUPAC name of N,N-dibutyl-5-oxo-2,3-diphenyl-2H-furan-4-carboxamide (CID 70977278) is N,N-dibutyl-5-oxo-2,3-diphenyl-2H-furan-4-carboxamide.
What is the SMILES notation for N,N-dibutyl-5-oxo-2,3-diphenyl-2H-furan-4-carboxamide?
The canonical SMILES for N,N-dibutyl-5-oxo-2,3-diphenyl-2H-furan-4-carboxamide is CCCCN(CCCC)C(=O)C1=C(c2ccccc2)C(c2ccccc2)OC1=O.
What is the InChIKey of N,N-dibutyl-5-oxo-2,3-diphenyl-2H-furan-4-carboxamide?
The InChIKey is DVIORRZRQRLPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO3/c1-3-5-17-26(18-6-4-2)24(27)22-21(19-13-9-7-10-14-19)23(29-25(22)28)20-15-11-8-12-16-20/h7-16,23H,3-6,17-18H2,1-2H3.
What are the key properties of N,N-dibutyl-5-oxo-2,3-diphenyl-2H-furan-4-carboxamide?
N,N-dibutyl-5-oxo-2,3-diphenyl-2H-furan-4-carboxamide has a molecular weight of 391.51 g/mol, XLogP of 5.17, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-5-oxo-2,3-diphenyl-2H-furan-4-carboxamide is sourced from PubChem (CID 70977278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).