methyl (Z)-2-(furan-2-carbonylamino)-3-(4-methoxyphenyl)prop-2-enoate

C16H15NO5 — CID 2180781

IUPACmethyl (Z)-2-(furan-2-carbonylamino)-3-(4-methoxyphenyl)prop-2-enoate
SMILESCOC(=O)/C(=C/c1ccc(OC)cc1)NC(=O)c1ccco1
InChIInChI=1S/C16H15NO5/c1-20-12-7-5-11(6-8-12)10-13(16(19)21-2)17-15(18)14-4-3-9-22-14/h3-10H,1-2H3,(H,17,18)/b13-10-
InChIKeyWGECCMNUIHFWOS-RAXLEYEMSA-N
MW301.30 g/mol
LogP2.23
Rot. Bonds5

About methyl (Z)-2-(furan-2-carbonylamino)-3-(4-methoxyphenyl)prop-2-enoate

methyl (Z)-2-(furan-2-carbonylamino)-3-(4-methoxyphenyl)prop-2-enoate (PubChem CID 2180781) has the molecular formula C16H15NO5 and a molecular weight of 301.30 g/mol. Its IUPAC name is methyl (Z)-2-(furan-2-carbonylamino)-3-(4-methoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-2-(furan-2-carbonylamino)-3-(4-methoxyphenyl)prop-2-enoate
PubChem CID2180781
Molecular FormulaC16H15NO5
Molecular Weight301.30 g/mol
Exact Mass301.10
IUPAC Namemethyl (Z)-2-(furan-2-carbonylamino)-3-(4-methoxyphenyl)prop-2-enoate
SMILESCOC(=O)/C(=C/c1ccc(OC)cc1)NC(=O)c1ccco1
InChIInChI=1S/C16H15NO5/c1-20-12-7-5-11(6-8-12)10-13(16(19)21-2)17-15(18)14-4-3-9-22-14/h3-10H,1-2H3,(H,17,18)/b13-10-
InChIKeyWGECCMNUIHFWOS-RAXLEYEMSA-N
XLogP2.23
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-3-(4-methoxyanilino)-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
CID 5338409
(2S)-2-[[(Z)-2-(furan-2-carbonylamino)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-3-methylbutanoic acid
CID 7438808
N-[1-(4-methoxyphenyl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]furan-2-carboxamide
CID 2839706
methyl (Z)-2-(furan-2-carbonylamino)but-2-enoate
CID 102388440
N-[(E)-1-(4-methoxyphenyl)-3-(3-methylanilino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
CID 5331919
(2R)-2-[[(E)-2-(furan-2-carbonylamino)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-4-methylpentanoic acid
CID 7493686
(2S)-2-[[(E)-2-(furan-2-carbonylamino)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-4-methylpentanoic acid
CID 6360930
methyl (E)-3-(furan-2-yl)-2-[(4-methoxybenzoyl)amino]prop-2-enoate
CID 10357490
methyl 2-[(4-methoxybenzoyl)amino]-3-phenylprop-2-enoate
CID 2933415
methyl (E)-2-(furan-2-carbonylamino)-3-(3-nitrophenyl)prop-2-enoate
CID 5415762
methyl 2-(furan-2-carbonylamino)-3-(3-nitrophenyl)prop-2-enoate
CID 887235
methyl (Z)-3-(4-methoxyphenyl)-2-(naphthalene-1-carbonylamino)prop-2-enoate
CID 2178690

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-2-(furan-2-carbonylamino)-3-(4-methoxyphenyl)prop-2-enoate?
The IUPAC name of methyl (Z)-2-(furan-2-carbonylamino)-3-(4-methoxyphenyl)prop-2-enoate (CID 2180781) is methyl (Z)-2-(furan-2-carbonylamino)-3-(4-methoxyphenyl)prop-2-enoate.
What is the SMILES notation for methyl (Z)-2-(furan-2-carbonylamino)-3-(4-methoxyphenyl)prop-2-enoate?
The canonical SMILES for methyl (Z)-2-(furan-2-carbonylamino)-3-(4-methoxyphenyl)prop-2-enoate is COC(=O)/C(=C/c1ccc(OC)cc1)NC(=O)c1ccco1.
What is the InChIKey of methyl (Z)-2-(furan-2-carbonylamino)-3-(4-methoxyphenyl)prop-2-enoate?
The InChIKey is WGECCMNUIHFWOS-RAXLEYEMSA-N. The full InChI is InChI=1S/C16H15NO5/c1-20-12-7-5-11(6-8-12)10-13(16(19)21-2)17-15(18)14-4-3-9-22-14/h3-10H,1-2H3,(H,17,18)/b13-10-.
What are the key properties of methyl (Z)-2-(furan-2-carbonylamino)-3-(4-methoxyphenyl)prop-2-enoate?
methyl (Z)-2-(furan-2-carbonylamino)-3-(4-methoxyphenyl)prop-2-enoate has a molecular weight of 301.30 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-2-(furan-2-carbonylamino)-3-(4-methoxyphenyl)prop-2-enoate is sourced from PubChem (CID 2180781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).