2-amino-N-[(1Z,6E)-7-chloro-4-methoxyocta-1,6-dienyl]-3,3-dimethylbutanamide

C15H27ClN2O2 — CID 144749541

IUPAC2-amino-N-[(1Z,6E)-7-chloro-4-methoxyocta-1,6-dienyl]-3,3-dimethylbutanamide
SMILESCOC(C/C=C\NC(=O)C(N)C(C)(C)C)C/C=C(\C)Cl
InChIInChI=1S/C15H27ClN2O2/c1-11(16)8-9-12(20-5)7-6-10-18-14(19)13(17)15(2,3)4/h6,8,10,12-13H,7,9,17H2,1-5H3,(H,18,19)/b10-6-,11-8+
InChIKeyWBUVFGKPXSKAJU-YANFREPOSA-N
MW302.85 g/mol
LogP2.93
Rot. Bonds7

About 2-amino-N-[(1Z,6E)-7-chloro-4-methoxyocta-1,6-dienyl]-3,3-dimethylbutanamide

2-amino-N-[(1Z,6E)-7-chloro-4-methoxyocta-1,6-dienyl]-3,3-dimethylbutanamide (PubChem CID 144749541) has the molecular formula C15H27ClN2O2 and a molecular weight of 302.85 g/mol. Its IUPAC name is 2-amino-N-[(1Z,6E)-7-chloro-4-methoxyocta-1,6-dienyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name2-amino-N-[(1Z,6E)-7-chloro-4-methoxyocta-1,6-dienyl]-3,3-dimethylbutanamide
PubChem CID144749541
Molecular FormulaC15H27ClN2O2
Molecular Weight302.85 g/mol
Exact Mass302.18
IUPAC Name2-amino-N-[(1Z,6E)-7-chloro-4-methoxyocta-1,6-dienyl]-3,3-dimethylbutanamide
SMILESCOC(C/C=C\NC(=O)C(N)C(C)(C)C)C/C=C(\C)Cl
InChIInChI=1S/C15H27ClN2O2/c1-11(16)8-9-12(20-5)7-6-10-18-14(19)13(17)15(2,3)4/h6,8,10,12-13H,7,9,17H2,1-5H3,(H,18,19)/b10-6-,11-8+
InChIKeyWBUVFGKPXSKAJU-YANFREPOSA-N
XLogP2.93
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.85
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1Z,6E)-7-chloro-4-methoxyocta-1,6-dienyl]-3,3-dimethylbutanamide?
The IUPAC name of 2-amino-N-[(1Z,6E)-7-chloro-4-methoxyocta-1,6-dienyl]-3,3-dimethylbutanamide (CID 144749541) is 2-amino-N-[(1Z,6E)-7-chloro-4-methoxyocta-1,6-dienyl]-3,3-dimethylbutanamide.
What is the SMILES notation for 2-amino-N-[(1Z,6E)-7-chloro-4-methoxyocta-1,6-dienyl]-3,3-dimethylbutanamide?
The canonical SMILES for 2-amino-N-[(1Z,6E)-7-chloro-4-methoxyocta-1,6-dienyl]-3,3-dimethylbutanamide is COC(C/C=C\NC(=O)C(N)C(C)(C)C)C/C=C(\C)Cl.
What is the InChIKey of 2-amino-N-[(1Z,6E)-7-chloro-4-methoxyocta-1,6-dienyl]-3,3-dimethylbutanamide?
The InChIKey is WBUVFGKPXSKAJU-YANFREPOSA-N. The full InChI is InChI=1S/C15H27ClN2O2/c1-11(16)8-9-12(20-5)7-6-10-18-14(19)13(17)15(2,3)4/h6,8,10,12-13H,7,9,17H2,1-5H3,(H,18,19)/b10-6-,11-8+.
What are the key properties of 2-amino-N-[(1Z,6E)-7-chloro-4-methoxyocta-1,6-dienyl]-3,3-dimethylbutanamide?
2-amino-N-[(1Z,6E)-7-chloro-4-methoxyocta-1,6-dienyl]-3,3-dimethylbutanamide has a molecular weight of 302.85 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1Z,6E)-7-chloro-4-methoxyocta-1,6-dienyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 144749541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).