(E)-N-[2-(2-acetamidoethoxy)ethyl]-4-methylpent-2-enamide

C12H22N2O3 — CID 159361776

IUPAC(E)-N-[2-(2-acetamidoethoxy)ethyl]-4-methylpent-2-enamide
SMILESCC(=O)NCCOCCNC(=O)/C=C/C(C)C
InChIInChI=1S/C12H22N2O3/c1-10(2)4-5-12(16)14-7-9-17-8-6-13-11(3)15/h4-5,10H,6-9H2,1-3H3,(H,13,15)(H,14,16)/b5-4+
InChIKeyLIQBVGOOJRIQJK-SNAWJCMRSA-N
MW242.32 g/mol
LogP0.47
Rot. Bonds8

About (E)-N-[2-(2-acetamidoethoxy)ethyl]-4-methylpent-2-enamide

(E)-N-[2-(2-acetamidoethoxy)ethyl]-4-methylpent-2-enamide (PubChem CID 159361776) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is (E)-N-[2-(2-acetamidoethoxy)ethyl]-4-methylpent-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(2-acetamidoethoxy)ethyl]-4-methylpent-2-enamide
PubChem CID159361776
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name(E)-N-[2-(2-acetamidoethoxy)ethyl]-4-methylpent-2-enamide
SMILESCC(=O)NCCOCCNC(=O)/C=C/C(C)C
InChIInChI=1S/C12H22N2O3/c1-10(2)4-5-12(16)14-7-9-17-8-6-13-11(3)15/h4-5,10H,6-9H2,1-3H3,(H,13,15)(H,14,16)/b5-4+
InChIKeyLIQBVGOOJRIQJK-SNAWJCMRSA-N
XLogP0.47
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.47
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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Related Compounds

N-[2-(2-methylpropoxy)ethyl]prop-2-enamide
CID 19105381
(E)-4,4-dimethyl-N-(3-morpholin-4-ylpropyl)pent-2-enamide
CID 21060382
(E)-N-(2-methoxyethyl)-4,4-dimethylpent-2-enamide
CID 21060447
(E)-N-[2-(2-aminoethoxy)ethyl]but-2-enamide
CID 58348964
(4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-[2-[[(E)-but-2-enoyl]amino]ethoxy]ethyl]docosa-4,7,10,13,16,19-hexaenamide
CID 58348971
(Z)-N-[2-[2-[[(E)-but-2-enoyl]amino]ethoxy]ethyl]hex-3-enamide
CID 58348975
(E)-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]but-2-enamide
CID 58348991
(E)-N-methyl-4-[methyl(2-propoxyethyl)amino]but-2-enamide
CID 58434682
CID 58998222
CID 58998222
(E)-N-(2-hydroxyethyl)-4-methylpent-2-enamide
CID 59745568
2-Methylpent-2-enamide;morpholine
CID 66895956
N-[2-(2-aminoethoxy)ethyl]but-2-enamide
CID 76769335

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(2-acetamidoethoxy)ethyl]-4-methylpent-2-enamide?
The IUPAC name of (E)-N-[2-(2-acetamidoethoxy)ethyl]-4-methylpent-2-enamide (CID 159361776) is (E)-N-[2-(2-acetamidoethoxy)ethyl]-4-methylpent-2-enamide.
What is the SMILES notation for (E)-N-[2-(2-acetamidoethoxy)ethyl]-4-methylpent-2-enamide?
The canonical SMILES for (E)-N-[2-(2-acetamidoethoxy)ethyl]-4-methylpent-2-enamide is CC(=O)NCCOCCNC(=O)/C=C/C(C)C.
What is the InChIKey of (E)-N-[2-(2-acetamidoethoxy)ethyl]-4-methylpent-2-enamide?
The InChIKey is LIQBVGOOJRIQJK-SNAWJCMRSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-10(2)4-5-12(16)14-7-9-17-8-6-13-11(3)15/h4-5,10H,6-9H2,1-3H3,(H,13,15)(H,14,16)/b5-4+.
What are the key properties of (E)-N-[2-(2-acetamidoethoxy)ethyl]-4-methylpent-2-enamide?
(E)-N-[2-(2-acetamidoethoxy)ethyl]-4-methylpent-2-enamide has a molecular weight of 242.32 g/mol, XLogP of 0.47, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(2-acetamidoethoxy)ethyl]-4-methylpent-2-enamide is sourced from PubChem (CID 159361776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).