(E)-N'-hexylbut-2-enediamide

C10H18N2O2 — CID 170849793

IUPAC(E)-N'-hexylbut-2-enediamide
SMILESCCCCCCNC(=O)/C=C/C(N)=O
InChIInChI=1S/C10H18N2O2/c1-2-3-4-5-8-12-10(14)7-6-9(11)13/h6-7H,2-5,8H2,1H3,(H2,11,13)(H,12,14)/b7-6+
InChIKeyURLVICRNTDKOAU-VOTSOKGWSA-N
MW198.27 g/mol
LogP0.72
Rot. Bonds7

About (E)-N'-hexylbut-2-enediamide

(E)-N'-hexylbut-2-enediamide (PubChem CID 170849793) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is (E)-N'-hexylbut-2-enediamide.

Molecular Properties

Compound Name(E)-N'-hexylbut-2-enediamide
PubChem CID170849793
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name(E)-N'-hexylbut-2-enediamide
SMILESCCCCCCNC(=O)/C=C/C(N)=O
InChIInChI=1S/C10H18N2O2/c1-2-3-4-5-8-12-10(14)7-6-9(11)13/h6-7H,2-5,8H2,1H3,(H2,11,13)(H,12,14)/b7-6+
InChIKeyURLVICRNTDKOAU-VOTSOKGWSA-N
XLogP0.72
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.72
H-Bond Donors ≤ 52
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

1,6-Hexamethylenebisacrylamide
CID 250559
2-Propenamide, N-octyl-
CID 82370
N-Dodecylacrylamide
CID 73929
2-Propenamide, N-(1-methylundecyl)-
CID 114489
N-Tetradecylacrylamide
CID 3016236
N,N'-(1,6-hexanediyl)bismethacrylamide
CID 85267
1-(5-aminopentyl)-2,5-dihydro-1H-pyrrole-2,5-dione hydrochloride
CID 23354886
Octadecylacrylamide
CID 73930
N-Hexadecylacrylamide
CID 88828
N-Decylacrylamide
CID 3018705
N-Hexylprop-2-enamide
CID 18172794
N-(6-(2,2,2-Trifluoroacetamido)hexyl)acrylamide
CID 15484913

Frequently Asked Questions

What is the IUPAC name of (E)-N'-hexylbut-2-enediamide?
The IUPAC name of (E)-N'-hexylbut-2-enediamide (CID 170849793) is (E)-N'-hexylbut-2-enediamide.
What is the SMILES notation for (E)-N'-hexylbut-2-enediamide?
The canonical SMILES for (E)-N'-hexylbut-2-enediamide is CCCCCCNC(=O)/C=C/C(N)=O.
What is the InChIKey of (E)-N'-hexylbut-2-enediamide?
The InChIKey is URLVICRNTDKOAU-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-2-3-4-5-8-12-10(14)7-6-9(11)13/h6-7H,2-5,8H2,1H3,(H2,11,13)(H,12,14)/b7-6+.
What are the key properties of (E)-N'-hexylbut-2-enediamide?
(E)-N'-hexylbut-2-enediamide has a molecular weight of 198.27 g/mol, XLogP of 0.72, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N'-hexylbut-2-enediamide is sourced from PubChem (CID 170849793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).