N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)dibenzofuran-4-carboxamide

C23H20N2O4 — CID 153386321

IUPACN-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)dibenzofuran-4-carboxamide
SMILESNC(=O)C(O)C(Cc1ccccc1)NC(=O)c1cccc2c1oc1ccccc12
InChIInChI=1S/C23H20N2O4/c24-22(27)20(26)18(13-14-7-2-1-3-8-14)25-23(28)17-11-6-10-16-15-9-4-5-12-19(15)29-21(16)17/h1-12,18,20,26H,13H2,(H2,24,27)(H,25,28)
InChIKeyINJFPMZCCLAECF-UHFFFAOYSA-N
MW388.42 g/mol
LogP2.77
Rot. Bonds6

About N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)dibenzofuran-4-carboxamide

N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)dibenzofuran-4-carboxamide (PubChem CID 153386321) has the molecular formula C23H20N2O4 and a molecular weight of 388.42 g/mol. Its IUPAC name is N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)dibenzofuran-4-carboxamide.

Molecular Properties

Compound NameN-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)dibenzofuran-4-carboxamide
PubChem CID153386321
Molecular FormulaC23H20N2O4
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC NameN-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)dibenzofuran-4-carboxamide
SMILESNC(=O)C(O)C(Cc1ccccc1)NC(=O)c1cccc2c1oc1ccccc12
InChIInChI=1S/C23H20N2O4/c24-22(27)20(26)18(13-14-7-2-1-3-8-14)25-23(28)17-11-6-10-16-15-9-4-5-12-19(15)29-21(16)17/h1-12,18,20,26H,13H2,(H2,24,27)(H,25,28)
InChIKeyINJFPMZCCLAECF-UHFFFAOYSA-N
XLogP2.77
TPSA105.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-2-chloronaphthalene-1-carboxamide
CID 147370288
N-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3-bromo-1-methylpyrazole-4-carboxamide
CID 153484051
N-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide
CID 142753794
2-[(1,1-dihydroxy-3-phenylpropan-2-yl)carbamoyl]benzoic acid
CID 123353160
N-[(2S,3R)-4-(benzylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3-methyl-4-oxochromene-2-carboxamide
CID 142682866
1-dibenzofuran-4-ylethanone
CID 15691981
N-[(2S,3R)-4-(benzylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3-ethyl-4-oxochromene-2-carboxamide
CID 142682865
N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-2-[(E)-2-[4-[(dimethylamino)methyl]phenyl]ethenyl]pyridine-3-carboxamide
CID 11733202
N-[1-(2,4-dichlorophenyl)-4-oxopentan-2-yl]dibenzofuran-4-carboxamide
CID 167588582
N-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-1-methyl-5-pyridin-4-ylpyrazole-4-carboxamide
CID 134397359
2-[[6-(4-dibenzofuran-4-ylphenyl)pyridine-3-carbonyl]amino]-3-phenylpropanoic acid
CID 69298204
N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-5-methyl-2-pyrimidin-2-ylpyrazole-3-carboxamide
CID 134396791

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)dibenzofuran-4-carboxamide?
The IUPAC name of N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)dibenzofuran-4-carboxamide (CID 153386321) is N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)dibenzofuran-4-carboxamide.
What is the SMILES notation for N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)dibenzofuran-4-carboxamide?
The canonical SMILES for N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)dibenzofuran-4-carboxamide is NC(=O)C(O)C(Cc1ccccc1)NC(=O)c1cccc2c1oc1ccccc12.
What is the InChIKey of N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)dibenzofuran-4-carboxamide?
The InChIKey is INJFPMZCCLAECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4/c24-22(27)20(26)18(13-14-7-2-1-3-8-14)25-23(28)17-11-6-10-16-15-9-4-5-12-19(15)29-21(16)17/h1-12,18,20,26H,13H2,(H2,24,27)(H,25,28).
What are the key properties of N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)dibenzofuran-4-carboxamide?
N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)dibenzofuran-4-carboxamide has a molecular weight of 388.42 g/mol, XLogP of 2.77, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)dibenzofuran-4-carboxamide is sourced from PubChem (CID 153386321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).