(E)-N-cyclohexyl-N-ethenyl-2-(methylamino)but-2-enamide

C13H22N2O — CID 156541809

IUPAC(E)-N-cyclohexyl-N-ethenyl-2-(methylamino)but-2-enamide
SMILESC=CN(C(=O)/C(=C\C)NC)C1CCCCC1
InChIInChI=1S/C13H22N2O/c1-4-12(14-3)13(16)15(5-2)11-9-7-6-8-10-11/h4-5,11,14H,2,6-10H2,1,3H3/b12-4+
InChIKeySGALPMDTXJNTEY-UUILKARUSA-N
MW222.33 g/mol
LogP2.41
Rot. Bonds4

About (E)-N-cyclohexyl-N-ethenyl-2-(methylamino)but-2-enamide

(E)-N-cyclohexyl-N-ethenyl-2-(methylamino)but-2-enamide (PubChem CID 156541809) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is (E)-N-cyclohexyl-N-ethenyl-2-(methylamino)but-2-enamide.

Molecular Properties

Compound Name(E)-N-cyclohexyl-N-ethenyl-2-(methylamino)but-2-enamide
PubChem CID156541809
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name(E)-N-cyclohexyl-N-ethenyl-2-(methylamino)but-2-enamide
SMILESC=CN(C(=O)/C(=C\C)NC)C1CCCCC1
InChIInChI=1S/C13H22N2O/c1-4-12(14-3)13(16)15(5-2)11-9-7-6-8-10-11/h4-5,11,14H,2,6-10H2,1,3H3/b12-4+
InChIKeySGALPMDTXJNTEY-UUILKARUSA-N
XLogP2.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[cyclopentyl(prop-2-enyl)amino]-3-oxopropanoic acid
CID 62230761
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CID 43409736
N-[(E)-2-cyanoethenyl]-N-cyclohexylacetamide
CID 13496257
2-[cyclopentyl(methylsulfamoyl)amino]acetic acid
CID 114805551
3-cyclohexyl-2-(methylamino)prop-2-enamide
CID 68635055
3-[cyclohexyl(prop-2-enyl)amino]propanoic acid
CID 82327969
N-cyclohexyl-N-(methylamino)carbamoyl chloride
CID 59986884
2-[cyclopentyl(methyl)amino]-N,N-dimethylbut-2-enamide
CID 123846624
(E)-3-cyclopentyl-2-(methylamino)prop-2-enoic acid
CID 176706903
1-cyclobutyl-1,3-dimethylurea
CID 66861755
2-[cyclopentyl-[3-(methylamino)-3-oxopropyl]amino]acetic acid
CID 62324293
(E)-N-cyclohexyl-N-ethyl-2-prop-1-en-2-ylbut-2-enamide
CID 143682339

Frequently Asked Questions

What is the IUPAC name of (E)-N-cyclohexyl-N-ethenyl-2-(methylamino)but-2-enamide?
The IUPAC name of (E)-N-cyclohexyl-N-ethenyl-2-(methylamino)but-2-enamide (CID 156541809) is (E)-N-cyclohexyl-N-ethenyl-2-(methylamino)but-2-enamide.
What is the SMILES notation for (E)-N-cyclohexyl-N-ethenyl-2-(methylamino)but-2-enamide?
The canonical SMILES for (E)-N-cyclohexyl-N-ethenyl-2-(methylamino)but-2-enamide is C=CN(C(=O)/C(=C\C)NC)C1CCCCC1.
What is the InChIKey of (E)-N-cyclohexyl-N-ethenyl-2-(methylamino)but-2-enamide?
The InChIKey is SGALPMDTXJNTEY-UUILKARUSA-N. The full InChI is InChI=1S/C13H22N2O/c1-4-12(14-3)13(16)15(5-2)11-9-7-6-8-10-11/h4-5,11,14H,2,6-10H2,1,3H3/b12-4+.
What are the key properties of (E)-N-cyclohexyl-N-ethenyl-2-(methylamino)but-2-enamide?
(E)-N-cyclohexyl-N-ethenyl-2-(methylamino)but-2-enamide has a molecular weight of 222.33 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-cyclohexyl-N-ethenyl-2-(methylamino)but-2-enamide is sourced from PubChem (CID 156541809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).