(Z)-N'-hexyl-N'-methylbut-2-enediamide

C11H20N2O2 — CID 87339309

IUPAC(Z)-N'-hexyl-N'-methylbut-2-enediamide
SMILESCCCCCCN(C)C(=O)/C=C\C(N)=O
InChIInChI=1S/C11H20N2O2/c1-3-4-5-6-9-13(2)11(15)8-7-10(12)14/h7-8H,3-6,9H2,1-2H3,(H2,12,14)/b8-7-
InChIKeyQLLQFUHLCIKPCF-FPLPWBNLSA-N
MW212.29 g/mol
LogP1.07
Rot. Bonds7

About (Z)-N'-hexyl-N'-methylbut-2-enediamide

(Z)-N'-hexyl-N'-methylbut-2-enediamide (PubChem CID 87339309) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is (Z)-N'-hexyl-N'-methylbut-2-enediamide.

Molecular Properties

Compound Name(Z)-N'-hexyl-N'-methylbut-2-enediamide
PubChem CID87339309
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name(Z)-N'-hexyl-N'-methylbut-2-enediamide
SMILESCCCCCCN(C)C(=O)/C=C\C(N)=O
InChIInChI=1S/C11H20N2O2/c1-3-4-5-6-9-13(2)11(15)8-7-10(12)14/h7-8H,3-6,9H2,1-2H3,(H2,12,14)/b8-7-
InChIKeyQLLQFUHLCIKPCF-FPLPWBNLSA-N
XLogP1.07
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.07
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

(E)-N,N,N',N'-tetrahexylbut-2-enediamide
CID 91739801
3-methyl-5-[3-[methyl(octyl)amino]-3-oxoprop-1-enyl]benzamide
CID 139882818
4-[[(E)-docos-2-enoyl]-methylamino]butane-1-sulfonic acid
CID 101284664
hexadecyl(methyl)carbamic acid
CID 15173799
N-decyl-N-methylacetamide
CID 22114742
N-hexyl-N-methylcarbamoyl chloride
CID 23509235
1-heptyl-1-methylthiourea
CID 10241584
ethane;N-methyl-N-octylacetamide
CID 142531459
sodium 4-[methyl-[(E)-tetradec-2-enoyl]amino]butane-1-sulfonate
CID 101284623
sodium 4-[methyl-[(E)-tetracos-2-enoyl]amino]butane-1-sulfonate
CID 101284684
potassium 4-[[(E)-henicos-2-enoyl]-methylamino]butane-1-sulfonate
CID 101284661
N-hexyl-N-methylprop-2-enamide;2-methylnon-2-enamide
CID 158002582

Frequently Asked Questions

What is the IUPAC name of (Z)-N'-hexyl-N'-methylbut-2-enediamide?
The IUPAC name of (Z)-N'-hexyl-N'-methylbut-2-enediamide (CID 87339309) is (Z)-N'-hexyl-N'-methylbut-2-enediamide.
What is the SMILES notation for (Z)-N'-hexyl-N'-methylbut-2-enediamide?
The canonical SMILES for (Z)-N'-hexyl-N'-methylbut-2-enediamide is CCCCCCN(C)C(=O)/C=C\C(N)=O.
What is the InChIKey of (Z)-N'-hexyl-N'-methylbut-2-enediamide?
The InChIKey is QLLQFUHLCIKPCF-FPLPWBNLSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-3-4-5-6-9-13(2)11(15)8-7-10(12)14/h7-8H,3-6,9H2,1-2H3,(H2,12,14)/b8-7-.
What are the key properties of (Z)-N'-hexyl-N'-methylbut-2-enediamide?
(Z)-N'-hexyl-N'-methylbut-2-enediamide has a molecular weight of 212.29 g/mol, XLogP of 1.07, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N'-hexyl-N'-methylbut-2-enediamide is sourced from PubChem (CID 87339309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).