2-amino-N-[(2S)-1-[(2E,3Z)-2-ethylidenehexa-3,5-dienoxy]propan-2-yl]-2-methylpropanamide

C15H26N2O2 — CID 130374317

IUPAC2-amino-N-[(2S)-1-[(2E,3Z)-2-ethylidenehexa-3,5-dienoxy]propan-2-yl]-2-methylpropanamide
SMILESC=C/C=C\C(=C/C)COC[C@H](C)NC(=O)C(C)(C)N
InChIInChI=1S/C15H26N2O2/c1-6-8-9-13(7-2)11-19-10-12(3)17-14(18)15(4,5)16/h6-9,12H,1,10-11,16H2,2-5H3,(H,17,18)/b9-8-,13-7+/t12-/m0/s1
InChIKeyLBXLOXAPZJSNOF-WVRVBQHSSA-N
MW266.38 g/mol
LogP1.93
Rot. Bonds8

About 2-amino-N-[(2S)-1-[(2E,3Z)-2-ethylidenehexa-3,5-dienoxy]propan-2-yl]-2-methylpropanamide

2-amino-N-[(2S)-1-[(2E,3Z)-2-ethylidenehexa-3,5-dienoxy]propan-2-yl]-2-methylpropanamide (PubChem CID 130374317) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 2-amino-N-[(2S)-1-[(2E,3Z)-2-ethylidenehexa-3,5-dienoxy]propan-2-yl]-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-[(2S)-1-[(2E,3Z)-2-ethylidenehexa-3,5-dienoxy]propan-2-yl]-2-methylpropanamide
PubChem CID130374317
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name2-amino-N-[(2S)-1-[(2E,3Z)-2-ethylidenehexa-3,5-dienoxy]propan-2-yl]-2-methylpropanamide
SMILESC=C/C=C\C(=C/C)COC[C@H](C)NC(=O)C(C)(C)N
InChIInChI=1S/C15H26N2O2/c1-6-8-9-13(7-2)11-19-10-12(3)17-14(18)15(4,5)16/h6-9,12H,1,10-11,16H2,2-5H3,(H,17,18)/b9-8-,13-7+/t12-/m0/s1
InChIKeyLBXLOXAPZJSNOF-WVRVBQHSSA-N
XLogP1.93
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2S)-1-[(2E,3Z)-2-ethylidenehexa-3,5-dienoxy]propan-2-yl]-2-methylpropanamide?
The IUPAC name of 2-amino-N-[(2S)-1-[(2E,3Z)-2-ethylidenehexa-3,5-dienoxy]propan-2-yl]-2-methylpropanamide (CID 130374317) is 2-amino-N-[(2S)-1-[(2E,3Z)-2-ethylidenehexa-3,5-dienoxy]propan-2-yl]-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-[(2S)-1-[(2E,3Z)-2-ethylidenehexa-3,5-dienoxy]propan-2-yl]-2-methylpropanamide?
The canonical SMILES for 2-amino-N-[(2S)-1-[(2E,3Z)-2-ethylidenehexa-3,5-dienoxy]propan-2-yl]-2-methylpropanamide is C=C/C=C\C(=C/C)COC[C@H](C)NC(=O)C(C)(C)N.
What is the InChIKey of 2-amino-N-[(2S)-1-[(2E,3Z)-2-ethylidenehexa-3,5-dienoxy]propan-2-yl]-2-methylpropanamide?
The InChIKey is LBXLOXAPZJSNOF-WVRVBQHSSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-6-8-9-13(7-2)11-19-10-12(3)17-14(18)15(4,5)16/h6-9,12H,1,10-11,16H2,2-5H3,(H,17,18)/b9-8-,13-7+/t12-/m0/s1.
What are the key properties of 2-amino-N-[(2S)-1-[(2E,3Z)-2-ethylidenehexa-3,5-dienoxy]propan-2-yl]-2-methylpropanamide?
2-amino-N-[(2S)-1-[(2E,3Z)-2-ethylidenehexa-3,5-dienoxy]propan-2-yl]-2-methylpropanamide has a molecular weight of 266.38 g/mol, XLogP of 1.93, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2S)-1-[(2E,3Z)-2-ethylidenehexa-3,5-dienoxy]propan-2-yl]-2-methylpropanamide is sourced from PubChem (CID 130374317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).