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

C13H26N2O2 — CID 63921332

IUPAC2-cyclopropyl-2-(ethylamino)-3-(3-methylbutoxy)propanamide
SMILESCCNC(COCCC(C)C)(C(N)=O)C1CC1
InChIInChI=1S/C13H26N2O2/c1-4-15-13(12(14)16,11-5-6-11)9-17-8-7-10(2)3/h10-11,15H,4-9H2,1-3H3,(H2,14,16)
InChIKeyYPRGYQIRDQBHRO-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.29
Rot. Bonds9

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

2-cyclopropyl-2-(ethylamino)-3-(3-methylbutoxy)propanamide (PubChem CID 63921332) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-cyclopropyl-2-(ethylamino)-3-(3-methylbutoxy)propanamide.

Molecular Properties

Compound Name2-cyclopropyl-2-(ethylamino)-3-(3-methylbutoxy)propanamide
PubChem CID63921332
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-cyclopropyl-2-(ethylamino)-3-(3-methylbutoxy)propanamide
SMILESCCNC(COCCC(C)C)(C(N)=O)C1CC1
InChIInChI=1S/C13H26N2O2/c1-4-15-13(12(14)16,11-5-6-11)9-17-8-7-10(2)3/h10-11,15H,4-9H2,1-3H3,(H2,14,16)
InChIKeyYPRGYQIRDQBHRO-UHFFFAOYSA-N
XLogP1.29
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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
3-(2-butoxyethoxy)-2-cyclopropyl-2-(ethylamino)propanamide
CID 63919349
2-cyclopropyl-2-(ethylamino)-3-heptoxypropanamide
CID 63921120
2-cyclopropyl-2-(ethylamino)-3-(2-ethylhexoxy)propanamide
CID 63919546
methyl 2-cyclopropyl-2-(ethylamino)-3-(2-methylpropoxy)propanoate
CID 63921337
2-cyclopropyl-3-(2-methylpentoxy)-2-(propylamino)propanamide
CID 103285031
2-cyclopropyl-2-(ethylamino)-3-(4-propan-2-ylphenoxy)propanamide
CID 63921557
2-cyclopropyl-3-octoxy-2-(propylamino)propanamide
CID 63921706
2-cyclopropyl-2-(ethylamino)-3-(oxan-4-yloxy)propanamide
CID 63920320
2-cyclopropyl-3-(2-methoxyethoxy)-2-(propan-2-ylamino)propanamide
CID 63919567
2-cyclopropyl-3-octoxy-2-(propan-2-ylamino)propanamide
CID 63918759
2-cyclopropyl-2-(ethylamino)-3-[methyl(propan-2-yl)amino]propanamide
CID 63907689

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(ethylamino)-3-(3-methylbutoxy)propanamide?
The IUPAC name of 2-cyclopropyl-2-(ethylamino)-3-(3-methylbutoxy)propanamide (CID 63921332) is 2-cyclopropyl-2-(ethylamino)-3-(3-methylbutoxy)propanamide.
What is the SMILES notation for 2-cyclopropyl-2-(ethylamino)-3-(3-methylbutoxy)propanamide?
The canonical SMILES for 2-cyclopropyl-2-(ethylamino)-3-(3-methylbutoxy)propanamide is CCNC(COCCC(C)C)(C(N)=O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(ethylamino)-3-(3-methylbutoxy)propanamide?
The InChIKey is YPRGYQIRDQBHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-4-15-13(12(14)16,11-5-6-11)9-17-8-7-10(2)3/h10-11,15H,4-9H2,1-3H3,(H2,14,16).
What are the key properties of 2-cyclopropyl-2-(ethylamino)-3-(3-methylbutoxy)propanamide?
2-cyclopropyl-2-(ethylamino)-3-(3-methylbutoxy)propanamide has a molecular weight of 242.36 g/mol, XLogP of 1.29, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(ethylamino)-3-(3-methylbutoxy)propanamide is sourced from PubChem (CID 63921332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).