N-(2-amino-2-ethylbutyl)-4-prop-2-enoxybutanamide

C13H26N2O2 — CID 119641759

IUPACN-(2-amino-2-ethylbutyl)-4-prop-2-enoxybutanamide
SMILESC=CCOCCCC(=O)NCC(N)(CC)CC
InChIInChI=1S/C13H26N2O2/c1-4-9-17-10-7-8-12(16)15-11-13(14,5-2)6-3/h4H,1,5-11,14H2,2-3H3,(H,15,16)
InChIKeyGLYWRXFYSGWBFH-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.60
Rot. Bonds10

About N-(2-amino-2-ethylbutyl)-4-prop-2-enoxybutanamide

N-(2-amino-2-ethylbutyl)-4-prop-2-enoxybutanamide (PubChem CID 119641759) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-4-prop-2-enoxybutanamide.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-4-prop-2-enoxybutanamide
PubChem CID119641759
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-(2-amino-2-ethylbutyl)-4-prop-2-enoxybutanamide
SMILESC=CCOCCCC(=O)NCC(N)(CC)CC
InChIInChI=1S/C13H26N2O2/c1-4-9-17-10-7-8-12(16)15-11-13(14,5-2)6-3/h4H,1,5-11,14H2,2-3H3,(H,15,16)
InChIKeyGLYWRXFYSGWBFH-UHFFFAOYSA-N
XLogP1.60
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N'-(2-amino-2-ethylbutyl)-N-ethylpentanediamide;hydrochloride
CID 119643328
N-(2-amino-2-ethylbutyl)-2-butoxyacetamide
CID 119640904
N-(3-aminopropyl)-4-prop-2-enoxybutanamide
CID 119406893
N-(2-amino-2-ethylbutyl)-2-pentoxyacetamide;hydrochloride
CID 119639970
N-(2-amino-2-ethylbutyl)-4-(4-fluorophenoxy)butanamide
CID 119640920
N-(2-amino-2-ethylbutyl)-3-(4-methylpentan-2-yloxy)propanamide
CID 119643447
N-(2-amino-2-ethylbutyl)-4-cyclopentylbutanamide;hydrochloride
CID 119644018
N-[4-[(2-amino-2-ethylbutyl)amino]-4-oxobutyl]cyclopropanecarboxamide
CID 119641529
N-(2-amino-2-ethylbutyl)-2-propoxyacetamide;hydrochloride
CID 119641121
N-[2-(aminomethyl)-2-ethylbutyl]-4-ethoxybutanamide
CID 114164021
N-(2-amino-2-ethylbutyl)-2-ethoxyacetamide;hydrochloride
CID 119642392
N'-(2-amino-2-ethylbutyl)-N-propylbutanediamide;hydrochloride
CID 119642895

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-4-prop-2-enoxybutanamide?
The IUPAC name of N-(2-amino-2-ethylbutyl)-4-prop-2-enoxybutanamide (CID 119641759) is N-(2-amino-2-ethylbutyl)-4-prop-2-enoxybutanamide.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-4-prop-2-enoxybutanamide?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-4-prop-2-enoxybutanamide is C=CCOCCCC(=O)NCC(N)(CC)CC.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-4-prop-2-enoxybutanamide?
The InChIKey is GLYWRXFYSGWBFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-4-9-17-10-7-8-12(16)15-11-13(14,5-2)6-3/h4H,1,5-11,14H2,2-3H3,(H,15,16).
What are the key properties of N-(2-amino-2-ethylbutyl)-4-prop-2-enoxybutanamide?
N-(2-amino-2-ethylbutyl)-4-prop-2-enoxybutanamide has a molecular weight of 242.36 g/mol, XLogP of 1.60, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-4-prop-2-enoxybutanamide is sourced from PubChem (CID 119641759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).