N-[(2Z,4Z)-2-amino-3-methoxyhexa-2,4-dienyl]acetamide

C9H16N2O2 — CID 163770520

IUPACN-[(2Z,4Z)-2-amino-3-methoxyhexa-2,4-dienyl]acetamide
SMILESC/C=C\C(OC)=C(\N)CNC(C)=O
InChIInChI=1S/C9H16N2O2/c1-4-5-9(13-3)8(10)6-11-7(2)12/h4-5H,6,10H2,1-3H3,(H,11,12)/b5-4-,9-8-
InChIKeyMFZYWCJUVFPOIS-WPAMCMATSA-N
MW184.24 g/mol
LogP0.52
Rot. Bonds4

About N-[(2Z,4Z)-2-amino-3-methoxyhexa-2,4-dienyl]acetamide

N-[(2Z,4Z)-2-amino-3-methoxyhexa-2,4-dienyl]acetamide (PubChem CID 163770520) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is N-[(2Z,4Z)-2-amino-3-methoxyhexa-2,4-dienyl]acetamide.

Molecular Properties

Compound NameN-[(2Z,4Z)-2-amino-3-methoxyhexa-2,4-dienyl]acetamide
PubChem CID163770520
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC NameN-[(2Z,4Z)-2-amino-3-methoxyhexa-2,4-dienyl]acetamide
SMILESC/C=C\C(OC)=C(\N)CNC(C)=O
InChIInChI=1S/C9H16N2O2/c1-4-5-9(13-3)8(10)6-11-7(2)12/h4-5H,6,10H2,1-3H3,(H,11,12)/b5-4-,9-8-
InChIKeyMFZYWCJUVFPOIS-WPAMCMATSA-N
XLogP0.52
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2Z,4Z)-2-amino-3-methoxyhexa-2,4-dienyl]acetamide?
The IUPAC name of N-[(2Z,4Z)-2-amino-3-methoxyhexa-2,4-dienyl]acetamide (CID 163770520) is N-[(2Z,4Z)-2-amino-3-methoxyhexa-2,4-dienyl]acetamide.
What is the SMILES notation for N-[(2Z,4Z)-2-amino-3-methoxyhexa-2,4-dienyl]acetamide?
The canonical SMILES for N-[(2Z,4Z)-2-amino-3-methoxyhexa-2,4-dienyl]acetamide is C/C=C\C(OC)=C(\N)CNC(C)=O.
What is the InChIKey of N-[(2Z,4Z)-2-amino-3-methoxyhexa-2,4-dienyl]acetamide?
The InChIKey is MFZYWCJUVFPOIS-WPAMCMATSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-4-5-9(13-3)8(10)6-11-7(2)12/h4-5H,6,10H2,1-3H3,(H,11,12)/b5-4-,9-8-.
What are the key properties of N-[(2Z,4Z)-2-amino-3-methoxyhexa-2,4-dienyl]acetamide?
N-[(2Z,4Z)-2-amino-3-methoxyhexa-2,4-dienyl]acetamide has a molecular weight of 184.24 g/mol, XLogP of 0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z,4Z)-2-amino-3-methoxyhexa-2,4-dienyl]acetamide is sourced from PubChem (CID 163770520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).