2-amino-3-methoxy-N-(2-methylhexa-2,4-dienyl)propanamide

C11H20N2O2 — CID 123913790

IUPAC2-amino-3-methoxy-N-(2-methylhexa-2,4-dienyl)propanamide
SMILESCC=CC=C(C)CNC(=O)C(N)COC
InChIInChI=1S/C11H20N2O2/c1-4-5-6-9(2)7-13-11(14)10(12)8-15-3/h4-6,10H,7-8,12H2,1-3H3,(H,13,14)
InChIKeyYJOBPWRJFRDOHJ-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.60
Rot. Bonds6

About 2-amino-3-methoxy-N-(2-methylhexa-2,4-dienyl)propanamide

2-amino-3-methoxy-N-(2-methylhexa-2,4-dienyl)propanamide (PubChem CID 123913790) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-amino-3-methoxy-N-(2-methylhexa-2,4-dienyl)propanamide.

Molecular Properties

Compound Name2-amino-3-methoxy-N-(2-methylhexa-2,4-dienyl)propanamide
PubChem CID123913790
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name2-amino-3-methoxy-N-(2-methylhexa-2,4-dienyl)propanamide
SMILESCC=CC=C(C)CNC(=O)C(N)COC
InChIInChI=1S/C11H20N2O2/c1-4-5-6-9(2)7-13-11(14)10(12)8-15-3/h4-6,10H,7-8,12H2,1-3H3,(H,13,14)
InChIKeyYJOBPWRJFRDOHJ-UHFFFAOYSA-N
XLogP0.60
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-N-[2-[[(2E,4E)-4,6-bis(trifluoromethyl)hepta-2,4,6-trienyl]amino]-2-oxoethyl]-3-methoxypropanamide
CID 144692966
(2R)-2-acetamido-N-[(2E)-2-ethenylpenta-2,4-dienyl]-3-methoxypropanamide
CID 87061145
2-amino-3,3-dimethoxy-N-prop-2-enylpropanamide
CID 88368816
3-methoxy-2-methyl-N-[(2E,4Z)-2-methylhepta-2,4,6-trienyl]propanamide
CID 89425985
(2R)-2-acetamido-N-(cyclohexa-1,5-dien-1-ylmethyl)-3-methoxypropanamide
CID 90261543
2-acetamido-N-(2-ethylidenepent-3-enyl)-3-methoxypropanamide
CID 123602723
2-acetamido-3-methoxy-N-(2-methylidenebut-3-enyl)propanamide
CID 123745639
2-acetamido-N-(2-ethenylpenta-2,4-dienyl)-3-methoxypropanamide
CID 124010547
(2S)-2-amino-N-[(2Z,4Z)-hexa-2,4-dienyl]-3-hydroxypropanamide
CID 129130462
2-amino-N-[(Z)-3-chloro-2-[(Z)-prop-1-enyl]pent-2-enyl]-3-methoxypropanamide
CID 142183516
2-acetamido-N-[(2E)-2-ethenylpenta-2,4-dienyl]-3-hydroxypropanamide
CID 142314586
2-amino-3-methoxy-N-[(2-methylcyclohexa-1,5-dien-1-yl)methyl]propanamide
CID 142825303

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methoxy-N-(2-methylhexa-2,4-dienyl)propanamide?
The IUPAC name of 2-amino-3-methoxy-N-(2-methylhexa-2,4-dienyl)propanamide (CID 123913790) is 2-amino-3-methoxy-N-(2-methylhexa-2,4-dienyl)propanamide.
What is the SMILES notation for 2-amino-3-methoxy-N-(2-methylhexa-2,4-dienyl)propanamide?
The canonical SMILES for 2-amino-3-methoxy-N-(2-methylhexa-2,4-dienyl)propanamide is CC=CC=C(C)CNC(=O)C(N)COC.
What is the InChIKey of 2-amino-3-methoxy-N-(2-methylhexa-2,4-dienyl)propanamide?
The InChIKey is YJOBPWRJFRDOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-4-5-6-9(2)7-13-11(14)10(12)8-15-3/h4-6,10H,7-8,12H2,1-3H3,(H,13,14).
What are the key properties of 2-amino-3-methoxy-N-(2-methylhexa-2,4-dienyl)propanamide?
2-amino-3-methoxy-N-(2-methylhexa-2,4-dienyl)propanamide has a molecular weight of 212.29 g/mol, XLogP of 0.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methoxy-N-(2-methylhexa-2,4-dienyl)propanamide is sourced from PubChem (CID 123913790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).