methyl (2R,3R)-2-benzamido-3-(furan-2-yl)-2-methylpent-4-enoate

C18H19NO4 — CID 101185727

IUPACmethyl (2R,3R)-2-benzamido-3-(furan-2-yl)-2-methylpent-4-enoate
SMILESC=C[C@@H](c1ccco1)[C@@](C)(NC(=O)c1ccccc1)C(=O)OC
InChIInChI=1S/C18H19NO4/c1-4-14(15-11-8-12-23-15)18(2,17(21)22-3)19-16(20)13-9-6-5-7-10-13/h4-12,14H,1H2,2-3H3,(H,19,20)/t14-,18+/m0/s1
InChIKeyJEYVRJPXNGPFIF-KBXCAEBGSA-N
MW313.35 g/mol
LogP2.91
Rot. Bonds6

About methyl (2R,3R)-2-benzamido-3-(furan-2-yl)-2-methylpent-4-enoate

methyl (2R,3R)-2-benzamido-3-(furan-2-yl)-2-methylpent-4-enoate (PubChem CID 101185727) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is methyl (2R,3R)-2-benzamido-3-(furan-2-yl)-2-methylpent-4-enoate.

Molecular Properties

Compound Namemethyl (2R,3R)-2-benzamido-3-(furan-2-yl)-2-methylpent-4-enoate
PubChem CID101185727
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Namemethyl (2R,3R)-2-benzamido-3-(furan-2-yl)-2-methylpent-4-enoate
SMILESC=C[C@@H](c1ccco1)[C@@](C)(NC(=O)c1ccccc1)C(=O)OC
InChIInChI=1S/C18H19NO4/c1-4-14(15-11-8-12-23-15)18(2,17(21)22-3)19-16(20)13-9-6-5-7-10-13/h4-12,14H,1H2,2-3H3,(H,19,20)/t14-,18+/m0/s1
InChIKeyJEYVRJPXNGPFIF-KBXCAEBGSA-N
XLogP2.91
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl (2R,3R)-2-benzamido-3-(furan-2-yl)-2-methylpent-4-enoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (2R,3R)-2-benzamido-3-(furan-2-yl)-2-methylpent-4-enoate?
The IUPAC name of methyl (2R,3R)-2-benzamido-3-(furan-2-yl)-2-methylpent-4-enoate (CID 101185727) is methyl (2R,3R)-2-benzamido-3-(furan-2-yl)-2-methylpent-4-enoate.
What is the SMILES notation for methyl (2R,3R)-2-benzamido-3-(furan-2-yl)-2-methylpent-4-enoate?
The canonical SMILES for methyl (2R,3R)-2-benzamido-3-(furan-2-yl)-2-methylpent-4-enoate is C=C[C@@H](c1ccco1)[C@@](C)(NC(=O)c1ccccc1)C(=O)OC.
What is the InChIKey of methyl (2R,3R)-2-benzamido-3-(furan-2-yl)-2-methylpent-4-enoate?
The InChIKey is JEYVRJPXNGPFIF-KBXCAEBGSA-N. The full InChI is InChI=1S/C18H19NO4/c1-4-14(15-11-8-12-23-15)18(2,17(21)22-3)19-16(20)13-9-6-5-7-10-13/h4-12,14H,1H2,2-3H3,(H,19,20)/t14-,18+/m0/s1.
What are the key properties of methyl (2R,3R)-2-benzamido-3-(furan-2-yl)-2-methylpent-4-enoate?
methyl (2R,3R)-2-benzamido-3-(furan-2-yl)-2-methylpent-4-enoate has a molecular weight of 313.35 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3R)-2-benzamido-3-(furan-2-yl)-2-methylpent-4-enoate is sourced from PubChem (CID 101185727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).