3-(ethylamino)-N-(3-methoxypropyl)-N-methylbutanamide

C11H24N2O2 — CID 63008042

IUPAC3-(ethylamino)-N-(3-methoxypropyl)-N-methylbutanamide
SMILESCCNC(C)CC(=O)N(C)CCCOC
InChIInChI=1S/C11H24N2O2/c1-5-12-10(2)9-11(14)13(3)7-6-8-15-4/h10,12H,5-9H2,1-4H3
InChIKeyUVVAUWVZKOAJRR-UHFFFAOYSA-N
MW216.32 g/mol
LogP0.87
Rot. Bonds8

About 3-(ethylamino)-N-(3-methoxypropyl)-N-methylbutanamide

3-(ethylamino)-N-(3-methoxypropyl)-N-methylbutanamide (PubChem CID 63008042) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is 3-(ethylamino)-N-(3-methoxypropyl)-N-methylbutanamide.

Molecular Properties

Compound Name3-(ethylamino)-N-(3-methoxypropyl)-N-methylbutanamide
PubChem CID63008042
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name3-(ethylamino)-N-(3-methoxypropyl)-N-methylbutanamide
SMILESCCNC(C)CC(=O)N(C)CCCOC
InChIInChI=1S/C11H24N2O2/c1-5-12-10(2)9-11(14)13(3)7-6-8-15-4/h10,12H,5-9H2,1-4H3
InChIKeyUVVAUWVZKOAJRR-UHFFFAOYSA-N
XLogP0.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-(3-methoxypropyl)-N-methylbutanamide?
The IUPAC name of 3-(ethylamino)-N-(3-methoxypropyl)-N-methylbutanamide (CID 63008042) is 3-(ethylamino)-N-(3-methoxypropyl)-N-methylbutanamide.
What is the SMILES notation for 3-(ethylamino)-N-(3-methoxypropyl)-N-methylbutanamide?
The canonical SMILES for 3-(ethylamino)-N-(3-methoxypropyl)-N-methylbutanamide is CCNC(C)CC(=O)N(C)CCCOC.
What is the InChIKey of 3-(ethylamino)-N-(3-methoxypropyl)-N-methylbutanamide?
The InChIKey is UVVAUWVZKOAJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-5-12-10(2)9-11(14)13(3)7-6-8-15-4/h10,12H,5-9H2,1-4H3.
What are the key properties of 3-(ethylamino)-N-(3-methoxypropyl)-N-methylbutanamide?
3-(ethylamino)-N-(3-methoxypropyl)-N-methylbutanamide has a molecular weight of 216.32 g/mol, XLogP of 0.87, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-(3-methoxypropyl)-N-methylbutanamide is sourced from PubChem (CID 63008042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).