(2R,4S,5R)-4-ethenyl-2-methyl-5-[(1R)-1-phenylmethoxyprop-2-enyl]-1,3-dioxolane-2-carboxamide

C17H21NO4 — CID 138977811

IUPAC(2R,4S,5R)-4-ethenyl-2-methyl-5-[(1R)-1-phenylmethoxyprop-2-enyl]-1,3-dioxolane-2-carboxamide
SMILESC=C[C@@H]1O[C@@](C)(C(N)=O)O[C@@H]1[C@@H](C=C)OCc1ccccc1
InChIInChI=1S/C17H21NO4/c1-4-13(20-11-12-9-7-6-8-10-12)15-14(5-2)21-17(3,22-15)16(18)19/h4-10,13-15H,1-2,11H2,3H3,(H2,18,19)/t13-,14+,15-,17-/m1/s1
InChIKeyMRBJDWHQQZCWMD-JYYAWHABSA-N
MW303.36 g/mol
LogP1.93
Rot. Bonds7

About (2R,4S,5R)-4-ethenyl-2-methyl-5-[(1R)-1-phenylmethoxyprop-2-enyl]-1,3-dioxolane-2-carboxamide

(2R,4S,5R)-4-ethenyl-2-methyl-5-[(1R)-1-phenylmethoxyprop-2-enyl]-1,3-dioxolane-2-carboxamide (PubChem CID 138977811) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is (2R,4S,5R)-4-ethenyl-2-methyl-5-[(1R)-1-phenylmethoxyprop-2-enyl]-1,3-dioxolane-2-carboxamide.

Molecular Properties

Compound Name(2R,4S,5R)-4-ethenyl-2-methyl-5-[(1R)-1-phenylmethoxyprop-2-enyl]-1,3-dioxolane-2-carboxamide
PubChem CID138977811
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC Name(2R,4S,5R)-4-ethenyl-2-methyl-5-[(1R)-1-phenylmethoxyprop-2-enyl]-1,3-dioxolane-2-carboxamide
SMILESC=C[C@@H]1O[C@@](C)(C(N)=O)O[C@@H]1[C@@H](C=C)OCc1ccccc1
InChIInChI=1S/C17H21NO4/c1-4-13(20-11-12-9-7-6-8-10-12)15-14(5-2)21-17(3,22-15)16(18)19/h4-10,13-15H,1-2,11H2,3H3,(H2,18,19)/t13-,14+,15-,17-/m1/s1
InChIKeyMRBJDWHQQZCWMD-JYYAWHABSA-N
XLogP1.93
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,4S,5R)-4-ethenyl-2-methyl-5-[(1R)-1-phenylmethoxyprop-2-enyl]-1,3-dioxolane-2-carboxamide?
The IUPAC name of (2R,4S,5R)-4-ethenyl-2-methyl-5-[(1R)-1-phenylmethoxyprop-2-enyl]-1,3-dioxolane-2-carboxamide (CID 138977811) is (2R,4S,5R)-4-ethenyl-2-methyl-5-[(1R)-1-phenylmethoxyprop-2-enyl]-1,3-dioxolane-2-carboxamide.
What is the SMILES notation for (2R,4S,5R)-4-ethenyl-2-methyl-5-[(1R)-1-phenylmethoxyprop-2-enyl]-1,3-dioxolane-2-carboxamide?
The canonical SMILES for (2R,4S,5R)-4-ethenyl-2-methyl-5-[(1R)-1-phenylmethoxyprop-2-enyl]-1,3-dioxolane-2-carboxamide is C=C[C@@H]1O[C@@](C)(C(N)=O)O[C@@H]1[C@@H](C=C)OCc1ccccc1.
What is the InChIKey of (2R,4S,5R)-4-ethenyl-2-methyl-5-[(1R)-1-phenylmethoxyprop-2-enyl]-1,3-dioxolane-2-carboxamide?
The InChIKey is MRBJDWHQQZCWMD-JYYAWHABSA-N. The full InChI is InChI=1S/C17H21NO4/c1-4-13(20-11-12-9-7-6-8-10-12)15-14(5-2)21-17(3,22-15)16(18)19/h4-10,13-15H,1-2,11H2,3H3,(H2,18,19)/t13-,14+,15-,17-/m1/s1.
What are the key properties of (2R,4S,5R)-4-ethenyl-2-methyl-5-[(1R)-1-phenylmethoxyprop-2-enyl]-1,3-dioxolane-2-carboxamide?
(2R,4S,5R)-4-ethenyl-2-methyl-5-[(1R)-1-phenylmethoxyprop-2-enyl]-1,3-dioxolane-2-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,5R)-4-ethenyl-2-methyl-5-[(1R)-1-phenylmethoxyprop-2-enyl]-1,3-dioxolane-2-carboxamide is sourced from PubChem (CID 138977811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).