(E)-4-(2-methoxyethylamino)-4-methylpent-2-enamide

C9H18N2O2 — CID 122512024

IUPAC(E)-4-(2-methoxyethylamino)-4-methylpent-2-enamide
SMILESCOCCNC(C)(C)/C=C/C(N)=O
InChIInChI=1S/C9H18N2O2/c1-9(2,5-4-8(10)12)11-6-7-13-3/h4-5,11H,6-7H2,1-3H3,(H2,10,12)/b5-4+
InChIKeySGBYBYXRLRDRFA-SNAWJCMRSA-N
MW186.25 g/mol
LogP0.04
Rot. Bonds6

About (E)-4-(2-methoxyethylamino)-4-methylpent-2-enamide

(E)-4-(2-methoxyethylamino)-4-methylpent-2-enamide (PubChem CID 122512024) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is (E)-4-(2-methoxyethylamino)-4-methylpent-2-enamide.

Molecular Properties

Compound Name(E)-4-(2-methoxyethylamino)-4-methylpent-2-enamide
PubChem CID122512024
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name(E)-4-(2-methoxyethylamino)-4-methylpent-2-enamide
SMILESCOCCNC(C)(C)/C=C/C(N)=O
InChIInChI=1S/C9H18N2O2/c1-9(2,5-4-8(10)12)11-6-7-13-3/h4-5,11H,6-7H2,1-3H3,(H2,10,12)/b5-4+
InChIKeySGBYBYXRLRDRFA-SNAWJCMRSA-N
XLogP0.04
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-4-(2-methoxyethylamino)-4-methylpent-2-enamide?
The IUPAC name of (E)-4-(2-methoxyethylamino)-4-methylpent-2-enamide (CID 122512024) is (E)-4-(2-methoxyethylamino)-4-methylpent-2-enamide.
What is the SMILES notation for (E)-4-(2-methoxyethylamino)-4-methylpent-2-enamide?
The canonical SMILES for (E)-4-(2-methoxyethylamino)-4-methylpent-2-enamide is COCCNC(C)(C)/C=C/C(N)=O.
What is the InChIKey of (E)-4-(2-methoxyethylamino)-4-methylpent-2-enamide?
The InChIKey is SGBYBYXRLRDRFA-SNAWJCMRSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-9(2,5-4-8(10)12)11-6-7-13-3/h4-5,11H,6-7H2,1-3H3,(H2,10,12)/b5-4+.
What are the key properties of (E)-4-(2-methoxyethylamino)-4-methylpent-2-enamide?
(E)-4-(2-methoxyethylamino)-4-methylpent-2-enamide has a molecular weight of 186.25 g/mol, XLogP of 0.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(2-methoxyethylamino)-4-methylpent-2-enamide is sourced from PubChem (CID 122512024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).