(E)-2-methyl-4-pentoxybut-2-enamide

C10H19NO2 — CID 140533648

IUPAC(E)-2-methyl-4-pentoxybut-2-enamide
SMILESCCCCCOC/C=C(\C)C(N)=O
InChIInChI=1S/C10H19NO2/c1-3-4-5-7-13-8-6-9(2)10(11)12/h6H,3-5,7-8H2,1-2H3,(H2,11,12)/b9-6+
InChIKeyXQUPASPJEJCPKO-RMKNXTFCSA-N
MW185.27 g/mol
LogP1.62
Rot. Bonds7

About (E)-2-methyl-4-pentoxybut-2-enamide

(E)-2-methyl-4-pentoxybut-2-enamide (PubChem CID 140533648) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (E)-2-methyl-4-pentoxybut-2-enamide.

Molecular Properties

Compound Name(E)-2-methyl-4-pentoxybut-2-enamide
PubChem CID140533648
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(E)-2-methyl-4-pentoxybut-2-enamide
SMILESCCCCCOC/C=C(\C)C(N)=O
InChIInChI=1S/C10H19NO2/c1-3-4-5-7-13-8-6-9(2)10(11)12/h6H,3-5,7-8H2,1-2H3,(H2,11,12)/b9-6+
InChIKeyXQUPASPJEJCPKO-RMKNXTFCSA-N
XLogP1.62
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

methyl 4-heptoxy-2-methylbut-2-enoate
CID 77074766
(E)-2-methylhexadec-2-enamide
CID 87240184
2-methylnonacos-2-enamide
CID 141002865
2-methylhept-2-enamide;hydrate
CID 172812574
2-tridecoxyacetamide
CID 54483018
2-methyl-5-pentoxypent-2-enoic acid
CID 173186869
2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]acetamide
CID 171838427
ethyl (E)-4-pentoxybut-2-enoate
CID 80545756
tetratriacontyl carbonobromidate
CID 174733362
2-methylhex-2-enamide;hydrochloride
CID 141109029
formic acid;1-prop-2-enoxypentane
CID 174234349
2-(2-decoxyethoxy)ethyl acetate
CID 526732

Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-4-pentoxybut-2-enamide?
The IUPAC name of (E)-2-methyl-4-pentoxybut-2-enamide (CID 140533648) is (E)-2-methyl-4-pentoxybut-2-enamide.
What is the SMILES notation for (E)-2-methyl-4-pentoxybut-2-enamide?
The canonical SMILES for (E)-2-methyl-4-pentoxybut-2-enamide is CCCCCOC/C=C(\C)C(N)=O.
What is the InChIKey of (E)-2-methyl-4-pentoxybut-2-enamide?
The InChIKey is XQUPASPJEJCPKO-RMKNXTFCSA-N. The full InChI is InChI=1S/C10H19NO2/c1-3-4-5-7-13-8-6-9(2)10(11)12/h6H,3-5,7-8H2,1-2H3,(H2,11,12)/b9-6+.
What are the key properties of (E)-2-methyl-4-pentoxybut-2-enamide?
(E)-2-methyl-4-pentoxybut-2-enamide has a molecular weight of 185.27 g/mol, XLogP of 1.62, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-4-pentoxybut-2-enamide is sourced from PubChem (CID 140533648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).