(Z)-2-[ethyl(oxetan-3-yl)amino]-4-methylpent-2-enamide

C11H20N2O2 — CID 90151419

IUPAC(Z)-2-[ethyl(oxetan-3-yl)amino]-4-methylpent-2-enamide
SMILESCCN(/C(=C\C(C)C)C(N)=O)C1COC1
InChIInChI=1S/C11H20N2O2/c1-4-13(9-6-15-7-9)10(11(12)14)5-8(2)3/h5,8-9H,4,6-7H2,1-3H3,(H2,12,14)/b10-5-
InChIKeyNNJZMNBAGPNHNZ-YHYXMXQVSA-N
MW212.29 g/mol
LogP0.73
Rot. Bonds5

About (Z)-2-[ethyl(oxetan-3-yl)amino]-4-methylpent-2-enamide

(Z)-2-[ethyl(oxetan-3-yl)amino]-4-methylpent-2-enamide (PubChem CID 90151419) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is (Z)-2-[ethyl(oxetan-3-yl)amino]-4-methylpent-2-enamide.

Molecular Properties

Compound Name(Z)-2-[ethyl(oxetan-3-yl)amino]-4-methylpent-2-enamide
PubChem CID90151419
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name(Z)-2-[ethyl(oxetan-3-yl)amino]-4-methylpent-2-enamide
SMILESCCN(/C(=C\C(C)C)C(N)=O)C1COC1
InChIInChI=1S/C11H20N2O2/c1-4-13(9-6-15-7-9)10(11(12)14)5-8(2)3/h5,8-9H,4,6-7H2,1-3H3,(H2,12,14)/b10-5-
InChIKeyNNJZMNBAGPNHNZ-YHYXMXQVSA-N
XLogP0.73
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-[ethyl(oxetan-3-yl)amino]-4-methylpent-2-enamide?
The IUPAC name of (Z)-2-[ethyl(oxetan-3-yl)amino]-4-methylpent-2-enamide (CID 90151419) is (Z)-2-[ethyl(oxetan-3-yl)amino]-4-methylpent-2-enamide.
What is the SMILES notation for (Z)-2-[ethyl(oxetan-3-yl)amino]-4-methylpent-2-enamide?
The canonical SMILES for (Z)-2-[ethyl(oxetan-3-yl)amino]-4-methylpent-2-enamide is CCN(/C(=C\C(C)C)C(N)=O)C1COC1.
What is the InChIKey of (Z)-2-[ethyl(oxetan-3-yl)amino]-4-methylpent-2-enamide?
The InChIKey is NNJZMNBAGPNHNZ-YHYXMXQVSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-4-13(9-6-15-7-9)10(11(12)14)5-8(2)3/h5,8-9H,4,6-7H2,1-3H3,(H2,12,14)/b10-5-.
What are the key properties of (Z)-2-[ethyl(oxetan-3-yl)amino]-4-methylpent-2-enamide?
(Z)-2-[ethyl(oxetan-3-yl)amino]-4-methylpent-2-enamide has a molecular weight of 212.29 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[ethyl(oxetan-3-yl)amino]-4-methylpent-2-enamide is sourced from PubChem (CID 90151419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).