(E)-4-methyl-N-[6-(propanoylamino)hexyl]pent-2-enamide;molecular hydrogen

C15H32N2O2 — CID 168888436

IUPAC(E)-4-methyl-N-[6-(propanoylamino)hexyl]pent-2-enamide;molecular hydrogen
SMILESCCC(=O)NCCCCCCNC(=O)/C=C/C(C)C.[H][H].[H][H]
InChIInChI=1S/C15H28N2O2.2H2/c1-4-14(18)16-11-7-5-6-8-12-17-15(19)10-9-13(2)3;;/h9-10,13H,4-8,11-12H2,1-3H3,(H,16,18)(H,17,19);2*1H/b10-9+;;
InChIKeyNPAILTYFBPUUGX-TTWKNDKESA-N
MW272.43 g/mol
LogP2.89
Rot. Bonds10

About (E)-4-methyl-N-[6-(propanoylamino)hexyl]pent-2-enamide;molecular hydrogen

(E)-4-methyl-N-[6-(propanoylamino)hexyl]pent-2-enamide;molecular hydrogen (PubChem CID 168888436) has the molecular formula C15H32N2O2 and a molecular weight of 272.43 g/mol. Its IUPAC name is (E)-4-methyl-N-[6-(propanoylamino)hexyl]pent-2-enamide;molecular hydrogen.

Molecular Properties

Compound Name(E)-4-methyl-N-[6-(propanoylamino)hexyl]pent-2-enamide;molecular hydrogen
PubChem CID168888436
Molecular FormulaC15H32N2O2
Molecular Weight272.43 g/mol
Exact Mass272.25
IUPAC Name(E)-4-methyl-N-[6-(propanoylamino)hexyl]pent-2-enamide;molecular hydrogen
SMILESCCC(=O)NCCCCCCNC(=O)/C=C/C(C)C.[H][H].[H][H]
InChIInChI=1S/C15H28N2O2.2H2/c1-4-14(18)16-11-7-5-6-8-12-17-15(19)10-9-13(2)3;;/h9-10,13H,4-8,11-12H2,1-3H3,(H,16,18)(H,17,19);2*1H/b10-9+;;
InChIKeyNPAILTYFBPUUGX-TTWKNDKESA-N
XLogP2.89
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 52.89
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

(E)-N-butyl-4-hydroxypent-2-enamide
CID 15354770
N-(6-hydroxyheptyl)propanamide
CID 91284740
ethane;N-undecylpropanamide
CID 155706114
N-[7-[(2-chloroacetyl)amino]heptyl]propanamide
CID 163838006
ethane;10-(propanoylamino)decanoic acid;11-(propanoylamino)undecanoic acid
CID 156732103
N-[3-(prop-2-enoylamino)propyl]propanamide
CID 45119504
N-(4-methylpentyl)propanamide
CID 54140551
N-[10-[(2-hydroxyacetyl)amino]decyl]propanamide;neodymium
CID 171554602
ethane;N-pentyl-6-(propanoylamino)hexanamide
CID 166555695
ethane;N-methyl-6-(propanoylamino)hexanamide
CID 145098119
(E)-4-methyl-N-[2-[2-[2-(2-oxobutoxy)ethoxy]ethoxy]ethyl]pent-2-enamide
CID 138726688
N-(4-hydroxypentyl)propanamide
CID 107299540

Frequently Asked Questions

What is the IUPAC name of (E)-4-methyl-N-[6-(propanoylamino)hexyl]pent-2-enamide;molecular hydrogen?
The IUPAC name of (E)-4-methyl-N-[6-(propanoylamino)hexyl]pent-2-enamide;molecular hydrogen (CID 168888436) is (E)-4-methyl-N-[6-(propanoylamino)hexyl]pent-2-enamide;molecular hydrogen.
What is the SMILES notation for (E)-4-methyl-N-[6-(propanoylamino)hexyl]pent-2-enamide;molecular hydrogen?
The canonical SMILES for (E)-4-methyl-N-[6-(propanoylamino)hexyl]pent-2-enamide;molecular hydrogen is CCC(=O)NCCCCCCNC(=O)/C=C/C(C)C.[H][H].[H][H].
What is the InChIKey of (E)-4-methyl-N-[6-(propanoylamino)hexyl]pent-2-enamide;molecular hydrogen?
The InChIKey is NPAILTYFBPUUGX-TTWKNDKESA-N. The full InChI is InChI=1S/C15H28N2O2.2H2/c1-4-14(18)16-11-7-5-6-8-12-17-15(19)10-9-13(2)3;;/h9-10,13H,4-8,11-12H2,1-3H3,(H,16,18)(H,17,19);2*1H/b10-9+;;.
What are the key properties of (E)-4-methyl-N-[6-(propanoylamino)hexyl]pent-2-enamide;molecular hydrogen?
(E)-4-methyl-N-[6-(propanoylamino)hexyl]pent-2-enamide;molecular hydrogen has a molecular weight of 272.43 g/mol, XLogP of 2.89, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-methyl-N-[6-(propanoylamino)hexyl]pent-2-enamide;molecular hydrogen is sourced from PubChem (CID 168888436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).