N-ethyl-5-(2-methylprop-2-enoylamino)pentanamide

C11H20N2O2 — CID 87413358

IUPACN-ethyl-5-(2-methylprop-2-enoylamino)pentanamide
SMILESC=C(C)C(=O)NCCCCC(=O)NCC
InChIInChI=1S/C11H20N2O2/c1-4-12-10(14)7-5-6-8-13-11(15)9(2)3/h2,4-8H2,1,3H3,(H,12,14)(H,13,15)
InChIKeyUKHXSHIGQZPAKU-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.99
Rot. Bonds7

About N-ethyl-5-(2-methylprop-2-enoylamino)pentanamide

N-ethyl-5-(2-methylprop-2-enoylamino)pentanamide (PubChem CID 87413358) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is N-ethyl-5-(2-methylprop-2-enoylamino)pentanamide.

Molecular Properties

Compound NameN-ethyl-5-(2-methylprop-2-enoylamino)pentanamide
PubChem CID87413358
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC NameN-ethyl-5-(2-methylprop-2-enoylamino)pentanamide
SMILESC=C(C)C(=O)NCCCCC(=O)NCC
InChIInChI=1S/C11H20N2O2/c1-4-12-10(14)7-5-6-8-13-11(15)9(2)3/h2,4-8H2,1,3H3,(H,12,14)(H,13,15)
InChIKeyUKHXSHIGQZPAKU-UHFFFAOYSA-N
XLogP0.99
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.99
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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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(2-methylprop-2-enoylamino)pentanamide?
The IUPAC name of N-ethyl-5-(2-methylprop-2-enoylamino)pentanamide (CID 87413358) is N-ethyl-5-(2-methylprop-2-enoylamino)pentanamide.
What is the SMILES notation for N-ethyl-5-(2-methylprop-2-enoylamino)pentanamide?
The canonical SMILES for N-ethyl-5-(2-methylprop-2-enoylamino)pentanamide is C=C(C)C(=O)NCCCCC(=O)NCC.
What is the InChIKey of N-ethyl-5-(2-methylprop-2-enoylamino)pentanamide?
The InChIKey is UKHXSHIGQZPAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-4-12-10(14)7-5-6-8-13-11(15)9(2)3/h2,4-8H2,1,3H3,(H,12,14)(H,13,15).
What are the key properties of N-ethyl-5-(2-methylprop-2-enoylamino)pentanamide?
N-ethyl-5-(2-methylprop-2-enoylamino)pentanamide has a molecular weight of 212.29 g/mol, XLogP of 0.99, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(2-methylprop-2-enoylamino)pentanamide is sourced from PubChem (CID 87413358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).