3-(2-butoxyethoxy)-2-cyclopropyl-2-(ethylamino)propanamide

C14H28N2O3 — CID 63919349

IUPAC3-(2-butoxyethoxy)-2-cyclopropyl-2-(ethylamino)propanamide
SMILESCCCCOCCOCC(NCC)(C(N)=O)C1CC1
InChIInChI=1S/C14H28N2O3/c1-3-5-8-18-9-10-19-11-14(13(15)17,16-4-2)12-6-7-12/h12,16H,3-11H2,1-2H3,(H2,15,17)
InChIKeyGSZBKDQKCKNZMI-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.06
Rot. Bonds12

About 3-(2-butoxyethoxy)-2-cyclopropyl-2-(ethylamino)propanamide

3-(2-butoxyethoxy)-2-cyclopropyl-2-(ethylamino)propanamide (PubChem CID 63919349) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 3-(2-butoxyethoxy)-2-cyclopropyl-2-(ethylamino)propanamide.

Molecular Properties

Compound Name3-(2-butoxyethoxy)-2-cyclopropyl-2-(ethylamino)propanamide
PubChem CID63919349
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name3-(2-butoxyethoxy)-2-cyclopropyl-2-(ethylamino)propanamide
SMILESCCCCOCCOCC(NCC)(C(N)=O)C1CC1
InChIInChI=1S/C14H28N2O3/c1-3-5-8-18-9-10-19-11-14(13(15)17,16-4-2)12-6-7-12/h12,16H,3-11H2,1-2H3,(H2,15,17)
InChIKeyGSZBKDQKCKNZMI-UHFFFAOYSA-N
XLogP1.06
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-butoxy-2-cyclopropyl-2-(ethylamino)propanamide
CID 63918660
2-cyclopropyl-2-(ethylamino)-3-heptoxypropanamide
CID 63921120
2-cyclopropyl-3-octoxy-2-(propylamino)propanamide
CID 63921706
2-cyclopropyl-2-(ethylamino)-3-(3-methylbutoxy)propanamide
CID 63921332
2-cyclopropyl-2-(ethylamino)-3-(2-ethylhexoxy)propanamide
CID 63919546
2-cyclopropyl-2-(cyclopropylamino)-3-heptoxypropanamide
CID 63920728
2-cyclopropyl-3-octoxy-2-(propan-2-ylamino)propanamide
CID 63918759
3-butylsulfanyl-2-cyclopropyl-2-(ethylamino)propanamide
CID 63918024
2-cyclopropyl-2-(ethylamino)-3-(4-propan-2-ylphenoxy)propanamide
CID 63921557
2-cyclopropyl-2-(ethylamino)-3-(oxan-4-yloxy)propanamide
CID 63920320
2-cyclopropyl-3-(2-methoxyethoxy)-2-(propan-2-ylamino)propanamide
CID 63919567
ethyl 2-cyclopropyl-3-(3,3-dimethylbutoxy)-2-(ethylamino)propanoate
CID 66226799

Frequently Asked Questions

What is the IUPAC name of 3-(2-butoxyethoxy)-2-cyclopropyl-2-(ethylamino)propanamide?
The IUPAC name of 3-(2-butoxyethoxy)-2-cyclopropyl-2-(ethylamino)propanamide (CID 63919349) is 3-(2-butoxyethoxy)-2-cyclopropyl-2-(ethylamino)propanamide.
What is the SMILES notation for 3-(2-butoxyethoxy)-2-cyclopropyl-2-(ethylamino)propanamide?
The canonical SMILES for 3-(2-butoxyethoxy)-2-cyclopropyl-2-(ethylamino)propanamide is CCCCOCCOCC(NCC)(C(N)=O)C1CC1.
What is the InChIKey of 3-(2-butoxyethoxy)-2-cyclopropyl-2-(ethylamino)propanamide?
The InChIKey is GSZBKDQKCKNZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-3-5-8-18-9-10-19-11-14(13(15)17,16-4-2)12-6-7-12/h12,16H,3-11H2,1-2H3,(H2,15,17).
What are the key properties of 3-(2-butoxyethoxy)-2-cyclopropyl-2-(ethylamino)propanamide?
3-(2-butoxyethoxy)-2-cyclopropyl-2-(ethylamino)propanamide has a molecular weight of 272.39 g/mol, XLogP of 1.06, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-butoxyethoxy)-2-cyclopropyl-2-(ethylamino)propanamide is sourced from PubChem (CID 63919349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).