(E)-4-(octanoylamino)pent-2-enediamide

C13H23N3O3 — CID 162387950

IUPAC(E)-4-(octanoylamino)pent-2-enediamide
SMILESCCCCCCCC(=O)NC(/C=C/C(N)=O)C(N)=O
InChIInChI=1S/C13H23N3O3/c1-2-3-4-5-6-7-12(18)16-10(13(15)19)8-9-11(14)17/h8-10H,2-7H2,1H3,(H2,14,17)(H2,15,19)(H,16,18)/b9-8+
InChIKeyLKHBUVLNXROTES-CMDGGOBGSA-N
MW269.34 g/mol
LogP0.36
Rot. Bonds10

About (E)-4-(octanoylamino)pent-2-enediamide

(E)-4-(octanoylamino)pent-2-enediamide (PubChem CID 162387950) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is (E)-4-(octanoylamino)pent-2-enediamide.

Molecular Properties

Compound Name(E)-4-(octanoylamino)pent-2-enediamide
PubChem CID162387950
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name(E)-4-(octanoylamino)pent-2-enediamide
SMILESCCCCCCCC(=O)NC(/C=C/C(N)=O)C(N)=O
InChIInChI=1S/C13H23N3O3/c1-2-3-4-5-6-7-12(18)16-10(13(15)19)8-9-11(14)17/h8-10H,2-7H2,1H3,(H2,14,17)(H2,15,19)(H,16,18)/b9-8+
InChIKeyLKHBUVLNXROTES-CMDGGOBGSA-N
XLogP0.36
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

4-amino-3-(hexadecanoylamino)-4-oxobutanoic acid
CID 91591572
(2S)-2-(decanoylamino)butanediamide
CID 54547398
N-pentan-3-yldocosanamide
CID 123339332
(2R)-4-amino-4-oxo-2-(tetradecanoylamino)butanoic acid
CID 102500690
N-[(2R)-1,4-diamino-1-oxobutan-2-yl]decanamide
CID 142575651
(2R)-4-amino-2-(decanoylamino)-4-oxobutanoic acid
CID 107821192
3-amino-2-(hexadecanoylamino)propanoic acid
CID 155315524
N-(1-amino-1-sulfanylidenepropan-2-yl)dodecanamide
CID 65449719
N-(1-amino-1-sulfanylidenepropan-2-yl)heptanamide
CID 114752749
(2S)-5-amino-2-(nonadecanoylamino)-5-oxopentanoic acid
CID 171116797
2-[1-(octadecanoylamino)ethyl]octadecanamide
CID 22720109
5-amino-5-oxo-2-(tetradecanoylamino)pentanoic acid
CID 18318649

Frequently Asked Questions

What is the IUPAC name of (E)-4-(octanoylamino)pent-2-enediamide?
The IUPAC name of (E)-4-(octanoylamino)pent-2-enediamide (CID 162387950) is (E)-4-(octanoylamino)pent-2-enediamide.
What is the SMILES notation for (E)-4-(octanoylamino)pent-2-enediamide?
The canonical SMILES for (E)-4-(octanoylamino)pent-2-enediamide is CCCCCCCC(=O)NC(/C=C/C(N)=O)C(N)=O.
What is the InChIKey of (E)-4-(octanoylamino)pent-2-enediamide?
The InChIKey is LKHBUVLNXROTES-CMDGGOBGSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-2-3-4-5-6-7-12(18)16-10(13(15)19)8-9-11(14)17/h8-10H,2-7H2,1H3,(H2,14,17)(H2,15,19)(H,16,18)/b9-8+.
What are the key properties of (E)-4-(octanoylamino)pent-2-enediamide?
(E)-4-(octanoylamino)pent-2-enediamide has a molecular weight of 269.34 g/mol, XLogP of 0.36, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(octanoylamino)pent-2-enediamide is sourced from PubChem (CID 162387950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).