(2E)-N-[(2S,3R)-1-amino-3-methoxypent-4-en-2-yl]-3,7-dimethylocta-2,6-dienamide

C16H28N2O2 — CID 121391951

IUPAC(2E)-N-[(2S,3R)-1-amino-3-methoxypent-4-en-2-yl]-3,7-dimethylocta-2,6-dienamide
SMILESC=C[C@@H](OC)[C@H](CN)NC(=O)/C=C(\C)CCC=C(C)C
InChIInChI=1S/C16H28N2O2/c1-6-15(20-5)14(11-17)18-16(19)10-13(4)9-7-8-12(2)3/h6,8,10,14-15H,1,7,9,11,17H2,2-5H3,(H,18,19)/b13-10+/t14-,15+/m0/s1
InChIKeyLJTGWGPBWNIXAV-XEZFYOOLSA-N
MW280.41 g/mol
LogP2.32
Rot. Bonds9

About (2E)-N-[(2S,3R)-1-amino-3-methoxypent-4-en-2-yl]-3,7-dimethylocta-2,6-dienamide

(2E)-N-[(2S,3R)-1-amino-3-methoxypent-4-en-2-yl]-3,7-dimethylocta-2,6-dienamide (PubChem CID 121391951) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is (2E)-N-[(2S,3R)-1-amino-3-methoxypent-4-en-2-yl]-3,7-dimethylocta-2,6-dienamide.

Molecular Properties

Compound Name(2E)-N-[(2S,3R)-1-amino-3-methoxypent-4-en-2-yl]-3,7-dimethylocta-2,6-dienamide
PubChem CID121391951
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name(2E)-N-[(2S,3R)-1-amino-3-methoxypent-4-en-2-yl]-3,7-dimethylocta-2,6-dienamide
SMILESC=C[C@@H](OC)[C@H](CN)NC(=O)/C=C(\C)CCC=C(C)C
InChIInChI=1S/C16H28N2O2/c1-6-15(20-5)14(11-17)18-16(19)10-13(4)9-7-8-12(2)3/h6,8,10,14-15H,1,7,9,11,17H2,2-5H3,(H,18,19)/b13-10+/t14-,15+/m0/s1
InChIKeyLJTGWGPBWNIXAV-XEZFYOOLSA-N
XLogP2.32
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-N-[(2S,3R)-1-amino-3-methoxypent-4-en-2-yl]-3,7-dimethylocta-2,6-dienamide?
The IUPAC name of (2E)-N-[(2S,3R)-1-amino-3-methoxypent-4-en-2-yl]-3,7-dimethylocta-2,6-dienamide (CID 121391951) is (2E)-N-[(2S,3R)-1-amino-3-methoxypent-4-en-2-yl]-3,7-dimethylocta-2,6-dienamide.
What is the SMILES notation for (2E)-N-[(2S,3R)-1-amino-3-methoxypent-4-en-2-yl]-3,7-dimethylocta-2,6-dienamide?
The canonical SMILES for (2E)-N-[(2S,3R)-1-amino-3-methoxypent-4-en-2-yl]-3,7-dimethylocta-2,6-dienamide is C=C[C@@H](OC)[C@H](CN)NC(=O)/C=C(\C)CCC=C(C)C.
What is the InChIKey of (2E)-N-[(2S,3R)-1-amino-3-methoxypent-4-en-2-yl]-3,7-dimethylocta-2,6-dienamide?
The InChIKey is LJTGWGPBWNIXAV-XEZFYOOLSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-6-15(20-5)14(11-17)18-16(19)10-13(4)9-7-8-12(2)3/h6,8,10,14-15H,1,7,9,11,17H2,2-5H3,(H,18,19)/b13-10+/t14-,15+/m0/s1.
What are the key properties of (2E)-N-[(2S,3R)-1-amino-3-methoxypent-4-en-2-yl]-3,7-dimethylocta-2,6-dienamide?
(2E)-N-[(2S,3R)-1-amino-3-methoxypent-4-en-2-yl]-3,7-dimethylocta-2,6-dienamide has a molecular weight of 280.41 g/mol, XLogP of 2.32, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-[(2S,3R)-1-amino-3-methoxypent-4-en-2-yl]-3,7-dimethylocta-2,6-dienamide is sourced from PubChem (CID 121391951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).