N-[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl]furan-3-carboxamide

C17H18N2O3 — CID 49497351

IUPACN-[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl]furan-3-carboxamide
SMILESO=C(CNC(=O)c1ccoc1)NC1(c2ccccc2)CCC1
InChIInChI=1S/C17H18N2O3/c20-15(11-18-16(21)13-7-10-22-12-13)19-17(8-4-9-17)14-5-2-1-3-6-14/h1-3,5-7,10,12H,4,8-9,11H2,(H,18,21)(H,19,20)
InChIKeyUXHIUSQLHDCOSF-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.20
Rot. Bonds5

About N-[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl]furan-3-carboxamide

N-[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl]furan-3-carboxamide (PubChem CID 49497351) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is N-[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl]furan-3-carboxamide
PubChem CID49497351
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC NameN-[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl]furan-3-carboxamide
SMILESO=C(CNC(=O)c1ccoc1)NC1(c2ccccc2)CCC1
InChIInChI=1S/C17H18N2O3/c20-15(11-18-16(21)13-7-10-22-12-13)19-17(8-4-9-17)14-5-2-1-3-6-14/h1-3,5-7,10,12H,4,8-9,11H2,(H,18,21)(H,19,20)
InChIKeyUXHIUSQLHDCOSF-UHFFFAOYSA-N
XLogP2.20
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl]furan-3-carboxamide?
The IUPAC name of N-[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl]furan-3-carboxamide (CID 49497351) is N-[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl]furan-3-carboxamide.
What is the SMILES notation for N-[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl]furan-3-carboxamide?
The canonical SMILES for N-[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl]furan-3-carboxamide is O=C(CNC(=O)c1ccoc1)NC1(c2ccccc2)CCC1.
What is the InChIKey of N-[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl]furan-3-carboxamide?
The InChIKey is UXHIUSQLHDCOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c20-15(11-18-16(21)13-7-10-22-12-13)19-17(8-4-9-17)14-5-2-1-3-6-14/h1-3,5-7,10,12H,4,8-9,11H2,(H,18,21)(H,19,20).
What are the key properties of N-[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl]furan-3-carboxamide?
N-[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl]furan-3-carboxamide has a molecular weight of 298.34 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl]furan-3-carboxamide is sourced from PubChem (CID 49497351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).