methyl (E)-3-(furan-2-yl)-2-[(4-methoxybenzoyl)amino]prop-2-enoate

C16H15NO5 — CID 10357490

IUPACmethyl (E)-3-(furan-2-yl)-2-[(4-methoxybenzoyl)amino]prop-2-enoate
SMILESCOC(=O)/C(=C\c1ccco1)NC(=O)c1ccc(OC)cc1
InChIInChI=1S/C16H15NO5/c1-20-12-7-5-11(6-8-12)15(18)17-14(16(19)21-2)10-13-4-3-9-22-13/h3-10H,1-2H3,(H,17,18)/b14-10+
InChIKeyXYQQZSUPTZFCAF-GXDHUFHOSA-N
MW301.30 g/mol
LogP2.23
Rot. Bonds5

About methyl (E)-3-(furan-2-yl)-2-[(4-methoxybenzoyl)amino]prop-2-enoate

methyl (E)-3-(furan-2-yl)-2-[(4-methoxybenzoyl)amino]prop-2-enoate (PubChem CID 10357490) has the molecular formula C16H15NO5 and a molecular weight of 301.30 g/mol. Its IUPAC name is methyl (E)-3-(furan-2-yl)-2-[(4-methoxybenzoyl)amino]prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-(furan-2-yl)-2-[(4-methoxybenzoyl)amino]prop-2-enoate
PubChem CID10357490
Molecular FormulaC16H15NO5
Molecular Weight301.30 g/mol
Exact Mass301.10
IUPAC Namemethyl (E)-3-(furan-2-yl)-2-[(4-methoxybenzoyl)amino]prop-2-enoate
SMILESCOC(=O)/C(=C\c1ccco1)NC(=O)c1ccc(OC)cc1
InChIInChI=1S/C16H15NO5/c1-20-12-7-5-11(6-8-12)15(18)17-14(16(19)21-2)10-13-4-3-9-22-13/h3-10H,1-2H3,(H,17,18)/b14-10+
InChIKeyXYQQZSUPTZFCAF-GXDHUFHOSA-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-[(Z)-1-(furan-2-yl)-3-(naphthalen-2-ylamino)-3-oxoprop-1-en-2-yl]-4-methoxybenzamide
CID 100753628
N-[(E)-1-(furan-2-yl)-3-oxo-3-[[(1S)-1-phenylethyl]amino]prop-1-en-2-yl]-4-methoxybenzamide
CID 7378501
N-[(Z)-1-(furan-2-yl)-3-[(4-methylphenyl)methylamino]-3-oxoprop-1-en-2-yl]-4-methoxybenzamide
CID 100587585
methyl 2-[(4-methoxybenzoyl)amino]-3-phenylprop-2-enoate
CID 2933415
N-[(Z)-3-[[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]amino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-4-methoxybenzamide
CID 100535900
N-[(Z)-3-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]amino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-4-methoxybenzamide
CID 125053758
methyl (Z)-2-(furan-2-carbonylamino)-3-(4-methoxyphenyl)prop-2-enoate
CID 2180781
N-[(Z)-3-[2-(4-chlorophenoxy)ethylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-4-methoxybenzamide
CID 100545825
N-[(Z)-1-(furan-2-yl)-3-[[(1R)-3-methyl-1-phenylbutyl]amino]-3-oxoprop-1-en-2-yl]-4-methoxybenzamide
CID 100750495
N-[(Z)-1-(furan-2-yl)-3-[1-(2-methoxyphenoxy)propan-2-ylamino]-3-oxoprop-1-en-2-yl]-4-methoxybenzamide
CID 133160007
N-[(Z)-3-[1-(2,5-dimethylphenyl)ethylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-4-methoxybenzamide
CID 133158325
N-[(Z)-3-[1-(2,4-dimethylphenyl)ethylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-4-methoxybenzamide
CID 133199570

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-(furan-2-yl)-2-[(4-methoxybenzoyl)amino]prop-2-enoate?
The IUPAC name of methyl (E)-3-(furan-2-yl)-2-[(4-methoxybenzoyl)amino]prop-2-enoate (CID 10357490) is methyl (E)-3-(furan-2-yl)-2-[(4-methoxybenzoyl)amino]prop-2-enoate.
What is the SMILES notation for methyl (E)-3-(furan-2-yl)-2-[(4-methoxybenzoyl)amino]prop-2-enoate?
The canonical SMILES for methyl (E)-3-(furan-2-yl)-2-[(4-methoxybenzoyl)amino]prop-2-enoate is COC(=O)/C(=C\c1ccco1)NC(=O)c1ccc(OC)cc1.
What is the InChIKey of methyl (E)-3-(furan-2-yl)-2-[(4-methoxybenzoyl)amino]prop-2-enoate?
The InChIKey is XYQQZSUPTZFCAF-GXDHUFHOSA-N. The full InChI is InChI=1S/C16H15NO5/c1-20-12-7-5-11(6-8-12)15(18)17-14(16(19)21-2)10-13-4-3-9-22-13/h3-10H,1-2H3,(H,17,18)/b14-10+.
What are the key properties of methyl (E)-3-(furan-2-yl)-2-[(4-methoxybenzoyl)amino]prop-2-enoate?
methyl (E)-3-(furan-2-yl)-2-[(4-methoxybenzoyl)amino]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 (E)-3-(furan-2-yl)-2-[(4-methoxybenzoyl)amino]prop-2-enoate is sourced from PubChem (CID 10357490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).