methyl 2-[3-(furan-2-yl)prop-2-enoylamino]-5-methoxybenzoate

C16H15NO5 — CID 75269063

IUPACmethyl 2-[3-(furan-2-yl)prop-2-enoylamino]-5-methoxybenzoate
SMILESCOC(=O)c1cc(OC)ccc1NC(=O)C=Cc1ccco1
InChIInChI=1S/C16H15NO5/c1-20-12-5-7-14(13(10-12)16(19)21-2)17-15(18)8-6-11-4-3-9-22-11/h3-10H,1-2H3,(H,17,18)
InChIKeySFHJMJHDTZIEHZ-UHFFFAOYSA-N
MW301.30 g/mol
LogP2.73
Rot. Bonds5

About methyl 2-[3-(furan-2-yl)prop-2-enoylamino]-5-methoxybenzoate

methyl 2-[3-(furan-2-yl)prop-2-enoylamino]-5-methoxybenzoate (PubChem CID 75269063) has the molecular formula C16H15NO5 and a molecular weight of 301.30 g/mol. Its IUPAC name is methyl 2-[3-(furan-2-yl)prop-2-enoylamino]-5-methoxybenzoate.

Molecular Properties

Compound Namemethyl 2-[3-(furan-2-yl)prop-2-enoylamino]-5-methoxybenzoate
PubChem CID75269063
Molecular FormulaC16H15NO5
Molecular Weight301.30 g/mol
Exact Mass301.10
IUPAC Namemethyl 2-[3-(furan-2-yl)prop-2-enoylamino]-5-methoxybenzoate
SMILESCOC(=O)c1cc(OC)ccc1NC(=O)C=Cc1ccco1
InChIInChI=1S/C16H15NO5/c1-20-12-5-7-14(13(10-12)16(19)21-2)17-15(18)8-6-11-4-3-9-22-11/h3-10H,1-2H3,(H,17,18)
InChIKeySFHJMJHDTZIEHZ-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
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

methyl 5-bromo-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzoate
CID 8001465
N-(2,4-dimethoxyphenyl)-3-(furan-2-yl)prop-2-enamide
CID 2921877
dimethyl 2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzene-1,4-dicarboxylate
CID 5342219
N-(2-ethoxy-5-methoxyphenyl)-3-(furan-2-yl)prop-2-enamide
CID 72687447
(E)-N-[(2,4-dimethoxyphenyl)carbamothioyl]-3-(furan-2-yl)prop-2-enamide
CID 885243
N'-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-methoxybenzohydrazide
CID 922444
methyl 4-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzoate
CID 963838
methyl 3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzoate
CID 2303057
2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-5-iodobenzoic acid
CID 45345795
2-[4-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-3-methylphenoxy]acetic acid
CID 17362080
methyl 5-bromo-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]benzoate
CID 19168701
3-(furan-2-yl)-N-(2,3,4-trifluorophenyl)prop-2-enamide
CID 4799293

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(furan-2-yl)prop-2-enoylamino]-5-methoxybenzoate?
The IUPAC name of methyl 2-[3-(furan-2-yl)prop-2-enoylamino]-5-methoxybenzoate (CID 75269063) is methyl 2-[3-(furan-2-yl)prop-2-enoylamino]-5-methoxybenzoate.
What is the SMILES notation for methyl 2-[3-(furan-2-yl)prop-2-enoylamino]-5-methoxybenzoate?
The canonical SMILES for methyl 2-[3-(furan-2-yl)prop-2-enoylamino]-5-methoxybenzoate is COC(=O)c1cc(OC)ccc1NC(=O)C=Cc1ccco1.
What is the InChIKey of methyl 2-[3-(furan-2-yl)prop-2-enoylamino]-5-methoxybenzoate?
The InChIKey is SFHJMJHDTZIEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO5/c1-20-12-5-7-14(13(10-12)16(19)21-2)17-15(18)8-6-11-4-3-9-22-11/h3-10H,1-2H3,(H,17,18).
What are the key properties of methyl 2-[3-(furan-2-yl)prop-2-enoylamino]-5-methoxybenzoate?
methyl 2-[3-(furan-2-yl)prop-2-enoylamino]-5-methoxybenzoate has a molecular weight of 301.30 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(furan-2-yl)prop-2-enoylamino]-5-methoxybenzoate is sourced from PubChem (CID 75269063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).