methyl 2-benzamido-3-(5-methylfuran-2-yl)prop-2-enoate

C16H15NO4 — CID 2874468

IUPACmethyl 2-benzamido-3-(5-methylfuran-2-yl)prop-2-enoate
SMILESCOC(=O)C(=Cc1ccc(C)o1)NC(=O)c1ccccc1
InChIInChI=1S/C16H15NO4/c1-11-8-9-13(21-11)10-14(16(19)20-2)17-15(18)12-6-4-3-5-7-12/h3-10H,1-2H3,(H,17,18)
InChIKeyAFNAWKNTGIHSER-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.53
Rot. Bonds4

About methyl 2-benzamido-3-(5-methylfuran-2-yl)prop-2-enoate

methyl 2-benzamido-3-(5-methylfuran-2-yl)prop-2-enoate (PubChem CID 2874468) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is methyl 2-benzamido-3-(5-methylfuran-2-yl)prop-2-enoate.

Molecular Properties

Compound Namemethyl 2-benzamido-3-(5-methylfuran-2-yl)prop-2-enoate
PubChem CID2874468
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Namemethyl 2-benzamido-3-(5-methylfuran-2-yl)prop-2-enoate
SMILESCOC(=O)C(=Cc1ccc(C)o1)NC(=O)c1ccccc1
InChIInChI=1S/C16H15NO4/c1-11-8-9-13(21-11)10-14(16(19)20-2)17-15(18)12-6-4-3-5-7-12/h3-10H,1-2H3,(H,17,18)
InChIKeyAFNAWKNTGIHSER-UHFFFAOYSA-N
XLogP2.53
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 2-benzamido-3-(5-methylfuran-2-yl)prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(4-methylanilino)-1-(5-methylfuran-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 5236171
N-[(Z)-3-(cyclopropylamino)-1-(5-methylfuran-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 2176470
N-[1-(5-methylfuran-2-yl)-3-oxo-3-(3,4,5-trimethoxyanilino)prop-1-en-2-yl]benzamide
CID 2928877
N-[(Z)-3-(cyclopentylamino)-1-(5-methylfuran-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 45035895
methyl 2-benzamido-4-methylpent-2-enoate
CID 71400450
methyl 2-benzamido-3-(5-methylthiophen-2-yl)prop-2-enoate
CID 4066470
methyl (Z)-2-benzamido-3-(5-methylthiophen-2-yl)prop-2-enoate
CID 13180771
methyl 2-[(4-methoxybenzoyl)amino]-3-phenylprop-2-enoate
CID 2933415
methyl (E)-3-(furan-2-yl)-2-[(4-methoxybenzoyl)amino]prop-2-enoate
CID 10357490
methyl (E)-2-benzamido-3-(2-ethoxyphenyl)prop-2-enoate
CID 1376034
methyl 2-benzamido-3-(2-ethoxyphenyl)prop-2-enoate
CID 2836669
methyl (E)-3-(5-methylfuran-2-yl)-2-[(triphenyl-λ5-phosphanylidene)amino]prop-2-enoate
CID 171984511

Frequently Asked Questions

What is the IUPAC name of methyl 2-benzamido-3-(5-methylfuran-2-yl)prop-2-enoate?
The IUPAC name of methyl 2-benzamido-3-(5-methylfuran-2-yl)prop-2-enoate (CID 2874468) is methyl 2-benzamido-3-(5-methylfuran-2-yl)prop-2-enoate.
What is the SMILES notation for methyl 2-benzamido-3-(5-methylfuran-2-yl)prop-2-enoate?
The canonical SMILES for methyl 2-benzamido-3-(5-methylfuran-2-yl)prop-2-enoate is COC(=O)C(=Cc1ccc(C)o1)NC(=O)c1ccccc1.
What is the InChIKey of methyl 2-benzamido-3-(5-methylfuran-2-yl)prop-2-enoate?
The InChIKey is AFNAWKNTGIHSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-11-8-9-13(21-11)10-14(16(19)20-2)17-15(18)12-6-4-3-5-7-12/h3-10H,1-2H3,(H,17,18).
What are the key properties of methyl 2-benzamido-3-(5-methylfuran-2-yl)prop-2-enoate?
methyl 2-benzamido-3-(5-methylfuran-2-yl)prop-2-enoate has a molecular weight of 285.30 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-benzamido-3-(5-methylfuran-2-yl)prop-2-enoate is sourced from PubChem (CID 2874468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).