N'-hexylbut-2-enediamide

C10H18N2O2 — CID 154301502

IUPACN'-hexylbut-2-enediamide
SMILESCCCCCCNC(=O)C=CC(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)
InChIKeyURLVICRNTDKOAU-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.72
Rot. Bonds7

About N'-hexylbut-2-enediamide

N'-hexylbut-2-enediamide (PubChem CID 154301502) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is N'-hexylbut-2-enediamide.

Molecular Properties

Compound NameN'-hexylbut-2-enediamide
PubChem CID154301502
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC NameN'-hexylbut-2-enediamide
SMILESCCCCCCNC(=O)C=CC(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)
InChIKeyURLVICRNTDKOAU-UHFFFAOYSA-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

(Z)-N'-decylbut-2-enediamide
CID 87339219
(2E,4E)-N,N'-di(tetradecyl)hexa-2,4-dienediamide
CID 101160253
(2Z,4Z)-N,N'-di(tetradecyl)hexa-2,4-dienediamide
CID 102438927
(Z)-4-(hexylamino)-4-oxobut-2-enoic acid;lanthanum
CID 174988746
ethyl (Z)-4-(dodecylamino)-4-oxobut-2-enoate
CID 139670344
methyl (Z)-4-(hexylamino)-4-oxobut-2-enoate
CID 6442503
butyl (Z)-4-(dodecylamino)-4-oxobut-2-enoate
CID 139670311
N-hexyl-4-iminopent-2-enamide
CID 123662070
(Z)-4-[[(Z)-docos-13-enyl]amino]-4-oxobut-2-enoic acid
CID 86748487
N-heptadecylprop-2-enamide
CID 20727742
(E)-N-butyldec-2-enamide
CID 160628271
1-aminododecyl (Z)-4-(dodecylamino)-4-oxobut-2-enoate
CID 87987439

Frequently Asked Questions

What is the IUPAC name of N'-hexylbut-2-enediamide?
The IUPAC name of N'-hexylbut-2-enediamide (CID 154301502) is N'-hexylbut-2-enediamide.
What is the SMILES notation for N'-hexylbut-2-enediamide?
The canonical SMILES for N'-hexylbut-2-enediamide is CCCCCCNC(=O)C=CC(N)=O.
What is the InChIKey of N'-hexylbut-2-enediamide?
The InChIKey is URLVICRNTDKOAU-UHFFFAOYSA-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).
What are the key properties of N'-hexylbut-2-enediamide?
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 N'-hexylbut-2-enediamide is sourced from PubChem (CID 154301502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).