(E)-N-[2-[2-(2,2-dimethylbutoxy)ethoxy]ethyl]-4-methylpent-2-enamide

C16H31NO3 — CID 146384542

IUPAC(E)-N-[2-[2-(2,2-dimethylbutoxy)ethoxy]ethyl]-4-methylpent-2-enamide
SMILESCCC(C)(C)COCCOCCNC(=O)/C=C/C(C)C
InChIInChI=1S/C16H31NO3/c1-6-16(4,5)13-20-12-11-19-10-9-17-15(18)8-7-14(2)3/h7-8,14H,6,9-13H2,1-5H3,(H,17,18)/b8-7+
InChIKeyVCLZHRXGANNVOA-BQYQJAHWSA-N
MW285.43 g/mol
LogP2.78
Rot. Bonds11

About (E)-N-[2-[2-(2,2-dimethylbutoxy)ethoxy]ethyl]-4-methylpent-2-enamide

(E)-N-[2-[2-(2,2-dimethylbutoxy)ethoxy]ethyl]-4-methylpent-2-enamide (PubChem CID 146384542) has the molecular formula C16H31NO3 and a molecular weight of 285.43 g/mol. Its IUPAC name is (E)-N-[2-[2-(2,2-dimethylbutoxy)ethoxy]ethyl]-4-methylpent-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-[2-(2,2-dimethylbutoxy)ethoxy]ethyl]-4-methylpent-2-enamide
PubChem CID146384542
Molecular FormulaC16H31NO3
Molecular Weight285.43 g/mol
Exact Mass285.23
IUPAC Name(E)-N-[2-[2-(2,2-dimethylbutoxy)ethoxy]ethyl]-4-methylpent-2-enamide
SMILESCCC(C)(C)COCCOCCNC(=O)/C=C/C(C)C
InChIInChI=1S/C16H31NO3/c1-6-16(4,5)13-20-12-11-19-10-9-17-15(18)8-7-14(2)3/h7-8,14H,6,9-13H2,1-5H3,(H,17,18)/b8-7+
InChIKeyVCLZHRXGANNVOA-BQYQJAHWSA-N
XLogP2.78
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 52.78
H-Bond Donors ≤ 51
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)-N-[2-[2-(2,2-dimethylbutoxy)ethoxy]ethyl]-4-methylpent-2-enamide?
The IUPAC name of (E)-N-[2-[2-(2,2-dimethylbutoxy)ethoxy]ethyl]-4-methylpent-2-enamide (CID 146384542) is (E)-N-[2-[2-(2,2-dimethylbutoxy)ethoxy]ethyl]-4-methylpent-2-enamide.
What is the SMILES notation for (E)-N-[2-[2-(2,2-dimethylbutoxy)ethoxy]ethyl]-4-methylpent-2-enamide?
The canonical SMILES for (E)-N-[2-[2-(2,2-dimethylbutoxy)ethoxy]ethyl]-4-methylpent-2-enamide is CCC(C)(C)COCCOCCNC(=O)/C=C/C(C)C.
What is the InChIKey of (E)-N-[2-[2-(2,2-dimethylbutoxy)ethoxy]ethyl]-4-methylpent-2-enamide?
The InChIKey is VCLZHRXGANNVOA-BQYQJAHWSA-N. The full InChI is InChI=1S/C16H31NO3/c1-6-16(4,5)13-20-12-11-19-10-9-17-15(18)8-7-14(2)3/h7-8,14H,6,9-13H2,1-5H3,(H,17,18)/b8-7+.
What are the key properties of (E)-N-[2-[2-(2,2-dimethylbutoxy)ethoxy]ethyl]-4-methylpent-2-enamide?
(E)-N-[2-[2-(2,2-dimethylbutoxy)ethoxy]ethyl]-4-methylpent-2-enamide has a molecular weight of 285.43 g/mol, XLogP of 2.78, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-[2-(2,2-dimethylbutoxy)ethoxy]ethyl]-4-methylpent-2-enamide is sourced from PubChem (CID 146384542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).