(2-methoxyphenyl)methyl 2-(furan-2-carbonylamino)-3-phenylpropanoate

C22H21NO5 — CID 78761330

IUPAC(2-methoxyphenyl)methyl 2-(furan-2-carbonylamino)-3-phenylpropanoate
SMILESCOc1ccccc1COC(=O)C(Cc1ccccc1)NC(=O)c1ccco1
InChIInChI=1S/C22H21NO5/c1-26-19-11-6-5-10-17(19)15-28-22(25)18(14-16-8-3-2-4-9-16)23-21(24)20-12-7-13-27-20/h2-13,18H,14-15H2,1H3,(H,23,24)
InChIKeyDLVSHTRZMQYRDG-UHFFFAOYSA-N
MW379.41 g/mol
LogP3.37
Rot. Bonds8

About (2-methoxyphenyl)methyl 2-(furan-2-carbonylamino)-3-phenylpropanoate

(2-methoxyphenyl)methyl 2-(furan-2-carbonylamino)-3-phenylpropanoate (PubChem CID 78761330) has the molecular formula C22H21NO5 and a molecular weight of 379.41 g/mol. Its IUPAC name is (2-methoxyphenyl)methyl 2-(furan-2-carbonylamino)-3-phenylpropanoate.

Molecular Properties

Compound Name(2-methoxyphenyl)methyl 2-(furan-2-carbonylamino)-3-phenylpropanoate
PubChem CID78761330
Molecular FormulaC22H21NO5
Molecular Weight379.41 g/mol
Exact Mass379.14
IUPAC Name(2-methoxyphenyl)methyl 2-(furan-2-carbonylamino)-3-phenylpropanoate
SMILESCOc1ccccc1COC(=O)C(Cc1ccccc1)NC(=O)c1ccco1
InChIInChI=1S/C22H21NO5/c1-26-19-11-6-5-10-17(19)15-28-22(25)18(14-16-8-3-2-4-9-16)23-21(24)20-12-7-13-27-20/h2-13,18H,14-15H2,1H3,(H,23,24)
InChIKeyDLVSHTRZMQYRDG-UHFFFAOYSA-N
XLogP3.37
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[[(2S)-2-(furan-2-carbonylamino)-3-phenylpropanoyl]oxymethyl]furan-2-carboxylate
CID 55935790
ethyl 2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 43877560
(4-chlorophenyl)methyl (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 8578858
[2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 55317171
N-[1-[(2,5-dimethoxyphenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 46542128
[2-oxo-2-(propan-2-ylamino)ethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 7567017
[(E)-but-2-enyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 55936409
ethyl (2R)-3-(4-fluorophenyl)-2-(furan-2-carbonylamino)propanoate
CID 66813442
N-[(2R)-1-[2-(2-methylpropanoylamino)ethylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 31011970
N-[1-(cyanomethylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 71934697
[2-oxo-2-(propylamino)ethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 7567045
[2-(4-methylphenyl)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 7030612

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)methyl 2-(furan-2-carbonylamino)-3-phenylpropanoate?
The IUPAC name of (2-methoxyphenyl)methyl 2-(furan-2-carbonylamino)-3-phenylpropanoate (CID 78761330) is (2-methoxyphenyl)methyl 2-(furan-2-carbonylamino)-3-phenylpropanoate.
What is the SMILES notation for (2-methoxyphenyl)methyl 2-(furan-2-carbonylamino)-3-phenylpropanoate?
The canonical SMILES for (2-methoxyphenyl)methyl 2-(furan-2-carbonylamino)-3-phenylpropanoate is COc1ccccc1COC(=O)C(Cc1ccccc1)NC(=O)c1ccco1.
What is the InChIKey of (2-methoxyphenyl)methyl 2-(furan-2-carbonylamino)-3-phenylpropanoate?
The InChIKey is DLVSHTRZMQYRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO5/c1-26-19-11-6-5-10-17(19)15-28-22(25)18(14-16-8-3-2-4-9-16)23-21(24)20-12-7-13-27-20/h2-13,18H,14-15H2,1H3,(H,23,24).
What are the key properties of (2-methoxyphenyl)methyl 2-(furan-2-carbonylamino)-3-phenylpropanoate?
(2-methoxyphenyl)methyl 2-(furan-2-carbonylamino)-3-phenylpropanoate has a molecular weight of 379.41 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)methyl 2-(furan-2-carbonylamino)-3-phenylpropanoate is sourced from PubChem (CID 78761330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).