5-methyl-N-[2-(methylamino)ethyl]-4-oxohept-5-enamide

C11H20N2O2 — CID 177044189

IUPAC5-methyl-N-[2-(methylamino)ethyl]-4-oxohept-5-enamide
SMILESCC=C(C)C(=O)CCC(=O)NCCNC
InChIInChI=1S/C11H20N2O2/c1-4-9(2)10(14)5-6-11(15)13-8-7-12-3/h4,12H,5-8H2,1-3H3,(H,13,15)
InChIKeyOMCJYOVNKSEMCQ-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.64
Rot. Bonds7

About 5-methyl-N-[2-(methylamino)ethyl]-4-oxohept-5-enamide

5-methyl-N-[2-(methylamino)ethyl]-4-oxohept-5-enamide (PubChem CID 177044189) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 5-methyl-N-[2-(methylamino)ethyl]-4-oxohept-5-enamide.

Molecular Properties

Compound Name5-methyl-N-[2-(methylamino)ethyl]-4-oxohept-5-enamide
PubChem CID177044189
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name5-methyl-N-[2-(methylamino)ethyl]-4-oxohept-5-enamide
SMILESCC=C(C)C(=O)CCC(=O)NCCNC
InChIInChI=1S/C11H20N2O2/c1-4-9(2)10(14)5-6-11(15)13-8-7-12-3/h4,12H,5-8H2,1-3H3,(H,13,15)
InChIKeyOMCJYOVNKSEMCQ-UHFFFAOYSA-N
XLogP0.64
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.64
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

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5,5-dimethyl-N-[2-(methylamino)ethyl]-4-oxohexanamide
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CID 170133551
4-[5-(methylamino)pentylamino]-4-oxobutanoic acid;yttrium
CID 59926153
4-(4-ethoxyphenoxy)-N-[2-(methylamino)ethyl]butanamide
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N-[2-(methylamino)ethyl]acetamide;hydrochloride
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4-(methylamino)-N-[2-(2-methylpropanoylamino)ethyl]butanamide;hydrochloride
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2-formamido-N-[2-(methylamino)ethyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(methylamino)ethyl]-4-oxohept-5-enamide?
The IUPAC name of 5-methyl-N-[2-(methylamino)ethyl]-4-oxohept-5-enamide (CID 177044189) is 5-methyl-N-[2-(methylamino)ethyl]-4-oxohept-5-enamide.
What is the SMILES notation for 5-methyl-N-[2-(methylamino)ethyl]-4-oxohept-5-enamide?
The canonical SMILES for 5-methyl-N-[2-(methylamino)ethyl]-4-oxohept-5-enamide is CC=C(C)C(=O)CCC(=O)NCCNC.
What is the InChIKey of 5-methyl-N-[2-(methylamino)ethyl]-4-oxohept-5-enamide?
The InChIKey is OMCJYOVNKSEMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-4-9(2)10(14)5-6-11(15)13-8-7-12-3/h4,12H,5-8H2,1-3H3,(H,13,15).
What are the key properties of 5-methyl-N-[2-(methylamino)ethyl]-4-oxohept-5-enamide?
5-methyl-N-[2-(methylamino)ethyl]-4-oxohept-5-enamide has a molecular weight of 212.29 g/mol, XLogP of 0.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(methylamino)ethyl]-4-oxohept-5-enamide is sourced from PubChem (CID 177044189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).