[(1R)-1-(4-methoxyphenyl)-2-[(4-methylphenyl)methylamino]-2-oxoethyl] furan-2-carboxylate

C22H21NO5 — CID 1432029

IUPAC[(1R)-1-(4-methoxyphenyl)-2-[(4-methylphenyl)methylamino]-2-oxoethyl] furan-2-carboxylate
SMILESCOc1ccc([C@@H](OC(=O)c2ccco2)C(=O)NCc2ccc(C)cc2)cc1
InChIInChI=1S/C22H21NO5/c1-15-5-7-16(8-6-15)14-23-21(24)20(17-9-11-18(26-2)12-10-17)28-22(25)19-4-3-13-27-19/h3-13,20H,14H2,1-2H3,(H,23,24)/t20-/m1/s1
InChIKeyZFSQTMICJQTPOJ-HXUWFJFHSA-N
MW379.41 g/mol
LogP3.81
Rot. Bonds7

About [(1R)-1-(4-methoxyphenyl)-2-[(4-methylphenyl)methylamino]-2-oxoethyl] furan-2-carboxylate

[(1R)-1-(4-methoxyphenyl)-2-[(4-methylphenyl)methylamino]-2-oxoethyl] furan-2-carboxylate (PubChem CID 1432029) has the molecular formula C22H21NO5 and a molecular weight of 379.41 g/mol. Its IUPAC name is [(1R)-1-(4-methoxyphenyl)-2-[(4-methylphenyl)methylamino]-2-oxoethyl] furan-2-carboxylate.

Molecular Properties

Compound Name[(1R)-1-(4-methoxyphenyl)-2-[(4-methylphenyl)methylamino]-2-oxoethyl] furan-2-carboxylate
PubChem CID1432029
Molecular FormulaC22H21NO5
Molecular Weight379.41 g/mol
Exact Mass379.14
IUPAC Name[(1R)-1-(4-methoxyphenyl)-2-[(4-methylphenyl)methylamino]-2-oxoethyl] furan-2-carboxylate
SMILESCOc1ccc([C@@H](OC(=O)c2ccco2)C(=O)NCc2ccc(C)cc2)cc1
InChIInChI=1S/C22H21NO5/c1-15-5-7-16(8-6-15)14-23-21(24)20(17-9-11-18(26-2)12-10-17)28-22(25)19-4-3-13-27-19/h3-13,20H,14H2,1-2H3,(H,23,24)/t20-/m1/s1
InChIKeyZFSQTMICJQTPOJ-HXUWFJFHSA-N
XLogP3.81
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(1R)-2-[(4-methylphenyl)methylamino]-2-oxo-1-phenylethyl] furan-2-carboxylate
CID 1431793
[(2R)-1-[(4-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl] furan-2-carboxylate
CID 1470003
[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxobutan-2-yl] furan-2-carboxylate
CID 1470024
3-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)propanamide
CID 110296570
[(1S)-2-[(4-fluorophenyl)methylamino]-2-oxo-1-phenylethyl] furan-2-carboxylate
CID 51508279
[(2S)-3-methyl-1-[(4-methylphenyl)methylamino]-1-oxobutan-2-yl] furan-2-carboxylate
CID 1431782
[(1R)-1-(4-chlorophenyl)-2-[(4-fluorophenyl)methylamino]-2-oxoethyl] furan-2-carboxylate
CID 1470080
[(1R)-2-(furan-2-ylmethylamino)-1-(4-methoxyphenyl)-2-oxoethyl] thiophene-2-carboxylate
CID 51684466
[(1R)-2-(benzylamino)-2-oxo-1-pyridin-3-ylethyl] furan-2-carboxylate
CID 51687864
[(1S)-2-(benzylamino)-2-oxo-1-pyridin-3-ylethyl] furan-2-carboxylate
CID 51687865
N-[(2R)-1-[(4-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 26002055
[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate
CID 7879838

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(4-methoxyphenyl)-2-[(4-methylphenyl)methylamino]-2-oxoethyl] furan-2-carboxylate?
The IUPAC name of [(1R)-1-(4-methoxyphenyl)-2-[(4-methylphenyl)methylamino]-2-oxoethyl] furan-2-carboxylate (CID 1432029) is [(1R)-1-(4-methoxyphenyl)-2-[(4-methylphenyl)methylamino]-2-oxoethyl] furan-2-carboxylate.
What is the SMILES notation for [(1R)-1-(4-methoxyphenyl)-2-[(4-methylphenyl)methylamino]-2-oxoethyl] furan-2-carboxylate?
The canonical SMILES for [(1R)-1-(4-methoxyphenyl)-2-[(4-methylphenyl)methylamino]-2-oxoethyl] furan-2-carboxylate is COc1ccc([C@@H](OC(=O)c2ccco2)C(=O)NCc2ccc(C)cc2)cc1.
What is the InChIKey of [(1R)-1-(4-methoxyphenyl)-2-[(4-methylphenyl)methylamino]-2-oxoethyl] furan-2-carboxylate?
The InChIKey is ZFSQTMICJQTPOJ-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H21NO5/c1-15-5-7-16(8-6-15)14-23-21(24)20(17-9-11-18(26-2)12-10-17)28-22(25)19-4-3-13-27-19/h3-13,20H,14H2,1-2H3,(H,23,24)/t20-/m1/s1.
What are the key properties of [(1R)-1-(4-methoxyphenyl)-2-[(4-methylphenyl)methylamino]-2-oxoethyl] furan-2-carboxylate?
[(1R)-1-(4-methoxyphenyl)-2-[(4-methylphenyl)methylamino]-2-oxoethyl] furan-2-carboxylate has a molecular weight of 379.41 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(4-methoxyphenyl)-2-[(4-methylphenyl)methylamino]-2-oxoethyl] furan-2-carboxylate is sourced from PubChem (CID 1432029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).