methyl 3-[[2-(furan-2-carbonylamino)-3-phenylprop-2-enoyl]amino]benzoate

C22H18N2O5 — CID 1371882

IUPACmethyl 3-[[2-(furan-2-carbonylamino)-3-phenylprop-2-enoyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)C(=Cc2ccccc2)NC(=O)c2ccco2)c1
InChIInChI=1S/C22H18N2O5/c1-28-22(27)16-9-5-10-17(14-16)23-20(25)18(13-15-7-3-2-4-8-15)24-21(26)19-11-6-12-29-19/h2-14H,1H3,(H,23,25)(H,24,26)
InChIKeyCOVFJFHUOFOEOH-UHFFFAOYSA-N
MW390.40 g/mol
LogP3.48
Rot. Bonds6

About methyl 3-[[2-(furan-2-carbonylamino)-3-phenylprop-2-enoyl]amino]benzoate

methyl 3-[[2-(furan-2-carbonylamino)-3-phenylprop-2-enoyl]amino]benzoate (PubChem CID 1371882) has the molecular formula C22H18N2O5 and a molecular weight of 390.40 g/mol. Its IUPAC name is methyl 3-[[2-(furan-2-carbonylamino)-3-phenylprop-2-enoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[2-(furan-2-carbonylamino)-3-phenylprop-2-enoyl]amino]benzoate
PubChem CID1371882
Molecular FormulaC22H18N2O5
Molecular Weight390.40 g/mol
Exact Mass390.12
IUPAC Namemethyl 3-[[2-(furan-2-carbonylamino)-3-phenylprop-2-enoyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)C(=Cc2ccccc2)NC(=O)c2ccco2)c1
InChIInChI=1S/C22H18N2O5/c1-28-22(27)16-9-5-10-17(14-16)23-20(25)18(13-15-7-3-2-4-8-15)24-21(26)19-11-6-12-29-19/h2-14H,1H3,(H,23,25)(H,24,26)
InChIKeyCOVFJFHUOFOEOH-UHFFFAOYSA-N
XLogP3.48
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[3-(3-chloroanilino)-3-oxo-1-phenylprop-1-en-2-yl]furan-2-carboxamide
CID 2945780
methyl 3-(furan-2-carbonylcarbamoylamino)benzoate
CID 2806361
N-[(E)-1-(4-methoxyphenyl)-3-(3-methylanilino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
CID 5331919
N-[3-(4-chloroanilino)-3-oxo-1-phenylprop-1-en-2-yl]furan-2-carboxamide
CID 4585499
N-[(E)-1-(4-bromophenyl)-3-(3-methylanilino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
CID 5441805
N-[(E)-3-(4-methoxyanilino)-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
CID 5338409
N-[(E)-3-anilino-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
CID 5442602
3-[[(E)-3-(2-chlorophenyl)-2-(furan-2-carbonylamino)prop-2-enoyl]amino]benzoate
CID 7454963
methyl 3-[[(E)-2-[(2-chlorobenzoyl)amino]-3-(4-methoxyphenyl)prop-2-enoyl]amino]benzoate
CID 1367571
methyl 3-[[(Z)-2-[(2-chlorobenzoyl)amino]-3-(4-methoxyphenyl)prop-2-enoyl]amino]benzoate
CID 2270579
3-[[(Z)-2-benzamido-3-(4-methoxyphenyl)prop-2-enoyl]amino]benzoic acid
CID 1367341
3-[[(E)-2-[(2-methoxybenzoyl)amino]-3-phenylprop-2-enoyl]amino]benzoate
CID 2270198

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(furan-2-carbonylamino)-3-phenylprop-2-enoyl]amino]benzoate?
The IUPAC name of methyl 3-[[2-(furan-2-carbonylamino)-3-phenylprop-2-enoyl]amino]benzoate (CID 1371882) is methyl 3-[[2-(furan-2-carbonylamino)-3-phenylprop-2-enoyl]amino]benzoate.
What is the SMILES notation for methyl 3-[[2-(furan-2-carbonylamino)-3-phenylprop-2-enoyl]amino]benzoate?
The canonical SMILES for methyl 3-[[2-(furan-2-carbonylamino)-3-phenylprop-2-enoyl]amino]benzoate is COC(=O)c1cccc(NC(=O)C(=Cc2ccccc2)NC(=O)c2ccco2)c1.
What is the InChIKey of methyl 3-[[2-(furan-2-carbonylamino)-3-phenylprop-2-enoyl]amino]benzoate?
The InChIKey is COVFJFHUOFOEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O5/c1-28-22(27)16-9-5-10-17(14-16)23-20(25)18(13-15-7-3-2-4-8-15)24-21(26)19-11-6-12-29-19/h2-14H,1H3,(H,23,25)(H,24,26).
What are the key properties of methyl 3-[[2-(furan-2-carbonylamino)-3-phenylprop-2-enoyl]amino]benzoate?
methyl 3-[[2-(furan-2-carbonylamino)-3-phenylprop-2-enoyl]amino]benzoate has a molecular weight of 390.40 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(furan-2-carbonylamino)-3-phenylprop-2-enoyl]amino]benzoate is sourced from PubChem (CID 1371882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).