N-[1-oxo-1-[[3-(phenylcarbamoyl)phenyl]methylamino]propan-2-yl]furan-3-carboxamide

C22H21N3O4 — CID 47056942

IUPACN-[1-oxo-1-[[3-(phenylcarbamoyl)phenyl]methylamino]propan-2-yl]furan-3-carboxamide
SMILESCC(NC(=O)c1ccoc1)C(=O)NCc1cccc(C(=O)Nc2ccccc2)c1
InChIInChI=1S/C22H21N3O4/c1-15(24-22(28)18-10-11-29-14-18)20(26)23-13-16-6-5-7-17(12-16)21(27)25-19-8-3-2-4-9-19/h2-12,14-15H,13H2,1H3,(H,23,26)(H,24,28)(H,25,27)
InChIKeyAKCQCZDUWKOAIV-UHFFFAOYSA-N
MW391.43 g/mol
LogP2.97
Rot. Bonds7

About N-[1-oxo-1-[[3-(phenylcarbamoyl)phenyl]methylamino]propan-2-yl]furan-3-carboxamide

N-[1-oxo-1-[[3-(phenylcarbamoyl)phenyl]methylamino]propan-2-yl]furan-3-carboxamide (PubChem CID 47056942) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is N-[1-oxo-1-[[3-(phenylcarbamoyl)phenyl]methylamino]propan-2-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[1-oxo-1-[[3-(phenylcarbamoyl)phenyl]methylamino]propan-2-yl]furan-3-carboxamide
PubChem CID47056942
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC NameN-[1-oxo-1-[[3-(phenylcarbamoyl)phenyl]methylamino]propan-2-yl]furan-3-carboxamide
SMILESCC(NC(=O)c1ccoc1)C(=O)NCc1cccc(C(=O)Nc2ccccc2)c1
InChIInChI=1S/C22H21N3O4/c1-15(24-22(28)18-10-11-29-14-18)20(26)23-13-16-6-5-7-17(12-16)21(27)25-19-8-3-2-4-9-19/h2-12,14-15H,13H2,1H3,(H,23,26)(H,24,28)(H,25,27)
InChIKeyAKCQCZDUWKOAIV-UHFFFAOYSA-N
XLogP2.97
TPSA100.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-oxo-1-[[3-(phenylcarbamoyl)phenyl]methylamino]propan-2-yl]furan-3-carboxamide?
The IUPAC name of N-[1-oxo-1-[[3-(phenylcarbamoyl)phenyl]methylamino]propan-2-yl]furan-3-carboxamide (CID 47056942) is N-[1-oxo-1-[[3-(phenylcarbamoyl)phenyl]methylamino]propan-2-yl]furan-3-carboxamide.
What is the SMILES notation for N-[1-oxo-1-[[3-(phenylcarbamoyl)phenyl]methylamino]propan-2-yl]furan-3-carboxamide?
The canonical SMILES for N-[1-oxo-1-[[3-(phenylcarbamoyl)phenyl]methylamino]propan-2-yl]furan-3-carboxamide is CC(NC(=O)c1ccoc1)C(=O)NCc1cccc(C(=O)Nc2ccccc2)c1.
What is the InChIKey of N-[1-oxo-1-[[3-(phenylcarbamoyl)phenyl]methylamino]propan-2-yl]furan-3-carboxamide?
The InChIKey is AKCQCZDUWKOAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4/c1-15(24-22(28)18-10-11-29-14-18)20(26)23-13-16-6-5-7-17(12-16)21(27)25-19-8-3-2-4-9-19/h2-12,14-15H,13H2,1H3,(H,23,26)(H,24,28)(H,25,27).
What are the key properties of N-[1-oxo-1-[[3-(phenylcarbamoyl)phenyl]methylamino]propan-2-yl]furan-3-carboxamide?
N-[1-oxo-1-[[3-(phenylcarbamoyl)phenyl]methylamino]propan-2-yl]furan-3-carboxamide has a molecular weight of 391.43 g/mol, XLogP of 2.97, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-oxo-1-[[3-(phenylcarbamoyl)phenyl]methylamino]propan-2-yl]furan-3-carboxamide is sourced from PubChem (CID 47056942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).