(2E,4Z)-6-[(2R,5S)-5-[(3E,5E)-6-methoxyhepta-1,3,5-trien-3-yl]-3-methyl-1,3-oxazolidin-2-yl]-N,N-dimethylhepta-2,4,6-trien-3-amine

C21H32N2O2 — CID 163976336

IUPAC(2E,4Z)-6-[(2R,5S)-5-[(3E,5E)-6-methoxyhepta-1,3,5-trien-3-yl]-3-methyl-1,3-oxazolidin-2-yl]-N,N-dimethylhepta-2,4,6-trien-3-amine
SMILESC=C/C(=C\C=C(/C)OC)[C@H]1CN(C)[C@@H](C(=C)/C=C\C(=C/C)N(C)C)O1
InChIInChI=1S/C21H32N2O2/c1-9-18(13-12-17(4)24-8)20-15-23(7)21(25-20)16(3)11-14-19(10-2)22(5)6/h9-14,20-21H,1,3,15H2,2,4-8H3/b14-11-,17-12+,18-13+,19-10+/t20-,21-/m1/s1
InChIKeySUMBBBOIBYQQGO-ZYQOXQHJSA-N
MW344.50 g/mol
LogP3.88
Rot. Bonds8

About (2E,4Z)-6-[(2R,5S)-5-[(3E,5E)-6-methoxyhepta-1,3,5-trien-3-yl]-3-methyl-1,3-oxazolidin-2-yl]-N,N-dimethylhepta-2,4,6-trien-3-amine

(2E,4Z)-6-[(2R,5S)-5-[(3E,5E)-6-methoxyhepta-1,3,5-trien-3-yl]-3-methyl-1,3-oxazolidin-2-yl]-N,N-dimethylhepta-2,4,6-trien-3-amine (PubChem CID 163976336) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is (2E,4Z)-6-[(2R,5S)-5-[(3E,5E)-6-methoxyhepta-1,3,5-trien-3-yl]-3-methyl-1,3-oxazolidin-2-yl]-N,N-dimethylhepta-2,4,6-trien-3-amine.

Molecular Properties

Compound Name(2E,4Z)-6-[(2R,5S)-5-[(3E,5E)-6-methoxyhepta-1,3,5-trien-3-yl]-3-methyl-1,3-oxazolidin-2-yl]-N,N-dimethylhepta-2,4,6-trien-3-amine
PubChem CID163976336
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC Name(2E,4Z)-6-[(2R,5S)-5-[(3E,5E)-6-methoxyhepta-1,3,5-trien-3-yl]-3-methyl-1,3-oxazolidin-2-yl]-N,N-dimethylhepta-2,4,6-trien-3-amine
SMILESC=C/C(=C\C=C(/C)OC)[C@H]1CN(C)[C@@H](C(=C)/C=C\C(=C/C)N(C)C)O1
InChIInChI=1S/C21H32N2O2/c1-9-18(13-12-17(4)24-8)20-15-23(7)21(25-20)16(3)11-14-19(10-2)22(5)6/h9-14,20-21H,1,3,15H2,2,4-8H3/b14-11-,17-12+,18-13+,19-10+/t20-,21-/m1/s1
InChIKeySUMBBBOIBYQQGO-ZYQOXQHJSA-N
XLogP3.88
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2E,4Z)-6-[(2R,5S)-5-[(3E,5E)-6-methoxyhepta-1,3,5-trien-3-yl]-3-methyl-1,3-oxazolidin-2-yl]-N,N-dimethylhepta-2,4,6-trien-3-amine 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 (2E,4Z)-6-[(2R,5S)-5-[(3E,5E)-6-methoxyhepta-1,3,5-trien-3-yl]-3-methyl-1,3-oxazolidin-2-yl]-N,N-dimethylhepta-2,4,6-trien-3-amine?
The IUPAC name of (2E,4Z)-6-[(2R,5S)-5-[(3E,5E)-6-methoxyhepta-1,3,5-trien-3-yl]-3-methyl-1,3-oxazolidin-2-yl]-N,N-dimethylhepta-2,4,6-trien-3-amine (CID 163976336) is (2E,4Z)-6-[(2R,5S)-5-[(3E,5E)-6-methoxyhepta-1,3,5-trien-3-yl]-3-methyl-1,3-oxazolidin-2-yl]-N,N-dimethylhepta-2,4,6-trien-3-amine.
What is the SMILES notation for (2E,4Z)-6-[(2R,5S)-5-[(3E,5E)-6-methoxyhepta-1,3,5-trien-3-yl]-3-methyl-1,3-oxazolidin-2-yl]-N,N-dimethylhepta-2,4,6-trien-3-amine?
The canonical SMILES for (2E,4Z)-6-[(2R,5S)-5-[(3E,5E)-6-methoxyhepta-1,3,5-trien-3-yl]-3-methyl-1,3-oxazolidin-2-yl]-N,N-dimethylhepta-2,4,6-trien-3-amine is C=C/C(=C\C=C(/C)OC)[C@H]1CN(C)[C@@H](C(=C)/C=C\C(=C/C)N(C)C)O1.
What is the InChIKey of (2E,4Z)-6-[(2R,5S)-5-[(3E,5E)-6-methoxyhepta-1,3,5-trien-3-yl]-3-methyl-1,3-oxazolidin-2-yl]-N,N-dimethylhepta-2,4,6-trien-3-amine?
The InChIKey is SUMBBBOIBYQQGO-ZYQOXQHJSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-9-18(13-12-17(4)24-8)20-15-23(7)21(25-20)16(3)11-14-19(10-2)22(5)6/h9-14,20-21H,1,3,15H2,2,4-8H3/b14-11-,17-12+,18-13+,19-10+/t20-,21-/m1/s1.
What are the key properties of (2E,4Z)-6-[(2R,5S)-5-[(3E,5E)-6-methoxyhepta-1,3,5-trien-3-yl]-3-methyl-1,3-oxazolidin-2-yl]-N,N-dimethylhepta-2,4,6-trien-3-amine?
(2E,4Z)-6-[(2R,5S)-5-[(3E,5E)-6-methoxyhepta-1,3,5-trien-3-yl]-3-methyl-1,3-oxazolidin-2-yl]-N,N-dimethylhepta-2,4,6-trien-3-amine has a molecular weight of 344.50 g/mol, XLogP of 3.88, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-6-[(2R,5S)-5-[(3E,5E)-6-methoxyhepta-1,3,5-trien-3-yl]-3-methyl-1,3-oxazolidin-2-yl]-N,N-dimethylhepta-2,4,6-trien-3-amine is sourced from PubChem (CID 163976336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).