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'}

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Related Compounds

methyl (2R,3S)-2-(2-benzoylhydrazinyl)-2,3-dimethylpent-4-enoate
CID 102456070
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CID 101027737
methyl (2R,3S)-2-benzamido-2-(methylsulfanylmethyl)-3-phenylpent-4-enoate
CID 138969760
methyl 2-benzamido-2-sulfanylpropanoate
CID 53440930
N-(2,2-dimethyl-3,4-diphenylhex-5-en-3-yl)benzamide
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methyl (2R)-2-benzamido-2-bromo-3,3-dimethylbutanoate
CID 101241068
methyl (2S)-2-benzamido-3-hydroxy-2-methylpropanoate
CID 102152083
N-[(2S)-2-amino-1-oxopropan-2-yl]benzamide
CID 174758628
3-benzamido-2,2,3-trimethylbutanoic acid
CID 65261450
N-(1,1,2-triphenylbut-3-enyl)benzamide
CID 175544491
methyl (E,2S)-2-benzamido-2-methyl-4-phenylselanylbut-3-enoate
CID 11417836
dimethyl 2-[1-(furan-2-yl)prop-2-enyl]propanedioate
CID 13217837

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).