4-amino-3-methoxy-N-[(E)-pent-3-enyl]butanamide

C10H20N2O2 — CID 103156649

IUPAC4-amino-3-methoxy-N-[(E)-pent-3-enyl]butanamide
SMILESC/C=C/CCNC(=O)CC(CN)OC
InChIInChI=1S/C10H20N2O2/c1-3-4-5-6-12-10(13)7-9(8-11)14-2/h3-4,9H,5-8,11H2,1-2H3,(H,12,13)/b4-3+
InChIKeyJLEXCEABJVPQHK-ONEGZZNKSA-N
MW200.28 g/mol
LogP0.43
Rot. Bonds7

About 4-amino-3-methoxy-N-[(E)-pent-3-enyl]butanamide

4-amino-3-methoxy-N-[(E)-pent-3-enyl]butanamide (PubChem CID 103156649) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-[(E)-pent-3-enyl]butanamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-[(E)-pent-3-enyl]butanamide
PubChem CID103156649
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name4-amino-3-methoxy-N-[(E)-pent-3-enyl]butanamide
SMILESC/C=C/CCNC(=O)CC(CN)OC
InChIInChI=1S/C10H20N2O2/c1-3-4-5-6-12-10(13)7-9(8-11)14-2/h3-4,9H,5-8,11H2,1-2H3,(H,12,13)/b4-3+
InChIKeyJLEXCEABJVPQHK-ONEGZZNKSA-N
XLogP0.43
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)hex-4-enamide
CID 90804500
(3E)-N-[2-(4-ethylmorpholin-2-yl)ethyl]pent-3-enamide
CID 56720081
N-[2-(4-ethylmorpholin-2-yl)ethyl]pent-3-enamide
CID 72072067
3-methoxy-3-methyl-N-[(E)-pent-3-enyl]butanamide
CID 103021025
4-amino-3-methoxy-N-prop-2-enylbutanamide
CID 103154231
4-amino-3-methoxy-N,N-bis(prop-2-enyl)butanamide
CID 103154234
4-amino-N-(3-ethenoxypropyl)-3-methoxybutanamide
CID 103155531
4-amino-N-(cyclohex-3-en-1-ylmethyl)-3-methoxybutanamide
CID 103155721
4-amino-N-cyclohex-3-en-1-yl-3-methoxybutanamide
CID 103156097
4-amino-3-methoxy-N-methyl-N-prop-2-enylbutanamide
CID 103156480
4-amino-N-ethyl-3-methoxy-N-prop-2-enylbutanamide
CID 103156481
4-amino-3-methoxy-N-prop-2-enyl-N-propylbutanamide
CID 103156482

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-[(E)-pent-3-enyl]butanamide?
The IUPAC name of 4-amino-3-methoxy-N-[(E)-pent-3-enyl]butanamide (CID 103156649) is 4-amino-3-methoxy-N-[(E)-pent-3-enyl]butanamide.
What is the SMILES notation for 4-amino-3-methoxy-N-[(E)-pent-3-enyl]butanamide?
The canonical SMILES for 4-amino-3-methoxy-N-[(E)-pent-3-enyl]butanamide is C/C=C/CCNC(=O)CC(CN)OC.
What is the InChIKey of 4-amino-3-methoxy-N-[(E)-pent-3-enyl]butanamide?
The InChIKey is JLEXCEABJVPQHK-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-3-4-5-6-12-10(13)7-9(8-11)14-2/h3-4,9H,5-8,11H2,1-2H3,(H,12,13)/b4-3+.
What are the key properties of 4-amino-3-methoxy-N-[(E)-pent-3-enyl]butanamide?
4-amino-3-methoxy-N-[(E)-pent-3-enyl]butanamide has a molecular weight of 200.28 g/mol, XLogP of 0.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-[(E)-pent-3-enyl]butanamide is sourced from PubChem (CID 103156649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).