(E)-N,N'-dihexylbut-2-enediamide

C16H30N2O2 — CID 139188307

IUPAC(E)-N,N'-dihexylbut-2-enediamide
SMILESCCCCCCNC(=O)/C=C/C(=O)NCCCCCC
InChIInChI=1S/C16H30N2O2/c1-3-5-7-9-13-17-15(19)11-12-16(20)18-14-10-8-6-4-2/h11-12H,3-10,13-14H2,1-2H3,(H,17,19)(H,18,20)/b12-11+
InChIKeyBQFXHACODDSXJO-VAWYXSNFSA-N
MW282.43 g/mol
LogP2.94
Rot. Bonds12

About (E)-N,N'-dihexylbut-2-enediamide

(E)-N,N'-dihexylbut-2-enediamide (PubChem CID 139188307) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is (E)-N,N'-dihexylbut-2-enediamide.

Molecular Properties

Compound Name(E)-N,N'-dihexylbut-2-enediamide
PubChem CID139188307
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name(E)-N,N'-dihexylbut-2-enediamide
SMILESCCCCCCNC(=O)/C=C/C(=O)NCCCCCC
InChIInChI=1S/C16H30N2O2/c1-3-5-7-9-13-17-15(19)11-12-16(20)18-14-10-8-6-4-2/h11-12H,3-10,13-14H2,1-2H3,(H,17,19)(H,18,20)/b12-11+
InChIKeyBQFXHACODDSXJO-VAWYXSNFSA-N
XLogP2.94
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.94
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
N-Tetradecylacrylamide
CID 3016236
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
1-(6-aminohexyl)-2,5-dihydro-1H-pyrrole-2,5-dione hydrochloride
CID 23054408
(Z)-N'-prop-2-ynyl-N-tetradecylbut-2-enediamide
CID 168270941
1H-Pyrrole-2,5-dione, 1-(5-aminopentyl)-
CID 10749944

Frequently Asked Questions

What is the IUPAC name of (E)-N,N'-dihexylbut-2-enediamide?
The IUPAC name of (E)-N,N'-dihexylbut-2-enediamide (CID 139188307) is (E)-N,N'-dihexylbut-2-enediamide.
What is the SMILES notation for (E)-N,N'-dihexylbut-2-enediamide?
The canonical SMILES for (E)-N,N'-dihexylbut-2-enediamide is CCCCCCNC(=O)/C=C/C(=O)NCCCCCC.
What is the InChIKey of (E)-N,N'-dihexylbut-2-enediamide?
The InChIKey is BQFXHACODDSXJO-VAWYXSNFSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-3-5-7-9-13-17-15(19)11-12-16(20)18-14-10-8-6-4-2/h11-12H,3-10,13-14H2,1-2H3,(H,17,19)(H,18,20)/b12-11+.
What are the key properties of (E)-N,N'-dihexylbut-2-enediamide?
(E)-N,N'-dihexylbut-2-enediamide has a molecular weight of 282.43 g/mol, XLogP of 2.94, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N'-dihexylbut-2-enediamide is sourced from PubChem (CID 139188307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).