N-[(3S,3aS)-3-benzyl-2-oxo-3aH-cyclohepta[b]furan-3-yl]benzamide

C23H19NO3 — CID 102144205

IUPACN-[(3S,3aS)-3-benzyl-2-oxo-3aH-cyclohepta[b]furan-3-yl]benzamide
SMILESO=C(N[C@]1(Cc2ccccc2)C(=O)OC2=CC=CC=C[C@H]21)c1ccccc1
InChIInChI=1S/C23H19NO3/c25-21(18-12-6-2-7-13-18)24-23(16-17-10-4-1-5-11-17)19-14-8-3-9-15-20(19)27-22(23)26/h1-15,19H,16H2,(H,24,25)/t19-,23+/m1/s1
InChIKeyFILSMSCQNAGEAK-XXBNENTESA-N
MW357.41 g/mol
LogP3.58
Rot. Bonds4

About N-[(3S,3aS)-3-benzyl-2-oxo-3aH-cyclohepta[b]furan-3-yl]benzamide

N-[(3S,3aS)-3-benzyl-2-oxo-3aH-cyclohepta[b]furan-3-yl]benzamide (PubChem CID 102144205) has the molecular formula C23H19NO3 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[(3S,3aS)-3-benzyl-2-oxo-3aH-cyclohepta[b]furan-3-yl]benzamide.

Molecular Properties

Compound NameN-[(3S,3aS)-3-benzyl-2-oxo-3aH-cyclohepta[b]furan-3-yl]benzamide
PubChem CID102144205
Molecular FormulaC23H19NO3
Molecular Weight357.41 g/mol
Exact Mass357.14
IUPAC NameN-[(3S,3aS)-3-benzyl-2-oxo-3aH-cyclohepta[b]furan-3-yl]benzamide
SMILESO=C(N[C@]1(Cc2ccccc2)C(=O)OC2=CC=CC=C[C@H]21)c1ccccc1
InChIInChI=1S/C23H19NO3/c25-21(18-12-6-2-7-13-18)24-23(16-17-10-4-1-5-11-17)19-14-8-3-9-15-20(19)27-22(23)26/h1-15,19H,16H2,(H,24,25)/t19-,23+/m1/s1
InChIKeyFILSMSCQNAGEAK-XXBNENTESA-N
XLogP3.58
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-amino-3-benzamido-4-phenylbutanoic acid
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Frequently Asked Questions

What is the IUPAC name of N-[(3S,3aS)-3-benzyl-2-oxo-3aH-cyclohepta[b]furan-3-yl]benzamide?
The IUPAC name of N-[(3S,3aS)-3-benzyl-2-oxo-3aH-cyclohepta[b]furan-3-yl]benzamide (CID 102144205) is N-[(3S,3aS)-3-benzyl-2-oxo-3aH-cyclohepta[b]furan-3-yl]benzamide.
What is the SMILES notation for N-[(3S,3aS)-3-benzyl-2-oxo-3aH-cyclohepta[b]furan-3-yl]benzamide?
The canonical SMILES for N-[(3S,3aS)-3-benzyl-2-oxo-3aH-cyclohepta[b]furan-3-yl]benzamide is O=C(N[C@]1(Cc2ccccc2)C(=O)OC2=CC=CC=C[C@H]21)c1ccccc1.
What is the InChIKey of N-[(3S,3aS)-3-benzyl-2-oxo-3aH-cyclohepta[b]furan-3-yl]benzamide?
The InChIKey is FILSMSCQNAGEAK-XXBNENTESA-N. The full InChI is InChI=1S/C23H19NO3/c25-21(18-12-6-2-7-13-18)24-23(16-17-10-4-1-5-11-17)19-14-8-3-9-15-20(19)27-22(23)26/h1-15,19H,16H2,(H,24,25)/t19-,23+/m1/s1.
What are the key properties of N-[(3S,3aS)-3-benzyl-2-oxo-3aH-cyclohepta[b]furan-3-yl]benzamide?
N-[(3S,3aS)-3-benzyl-2-oxo-3aH-cyclohepta[b]furan-3-yl]benzamide has a molecular weight of 357.41 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,3aS)-3-benzyl-2-oxo-3aH-cyclohepta[b]furan-3-yl]benzamide is sourced from PubChem (CID 102144205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).