2-cyclopropyl-3-octoxy-2-(propylamino)propanamide

C17H34N2O2 — CID 63921706

IUPAC2-cyclopropyl-3-octoxy-2-(propylamino)propanamide
SMILESCCCCCCCCOCC(NCCC)(C(N)=O)C1CC1
InChIInChI=1S/C17H34N2O2/c1-3-5-6-7-8-9-13-21-14-17(16(18)20,15-10-11-15)19-12-4-2/h15,19H,3-14H2,1-2H3,(H2,18,20)
InChIKeyUWULHKSEPDETTC-UHFFFAOYSA-N
MW298.47 g/mol
LogP3.00
Rot. Bonds14

About 2-cyclopropyl-3-octoxy-2-(propylamino)propanamide

2-cyclopropyl-3-octoxy-2-(propylamino)propanamide (PubChem CID 63921706) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is 2-cyclopropyl-3-octoxy-2-(propylamino)propanamide.

Molecular Properties

Compound Name2-cyclopropyl-3-octoxy-2-(propylamino)propanamide
PubChem CID63921706
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Name2-cyclopropyl-3-octoxy-2-(propylamino)propanamide
SMILESCCCCCCCCOCC(NCCC)(C(N)=O)C1CC1
InChIInChI=1S/C17H34N2O2/c1-3-5-6-7-8-9-13-21-14-17(16(18)20,15-10-11-15)19-12-4-2/h15,19H,3-14H2,1-2H3,(H2,18,20)
InChIKeyUWULHKSEPDETTC-UHFFFAOYSA-N
XLogP3.00
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-cyclopropyl-3-octoxy-2-(propylamino)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclopropyl-2-(ethylamino)-3-heptoxypropanamide
CID 63921120
3-butoxy-2-cyclopropyl-2-(ethylamino)propanamide
CID 63918660
2-cyclopropyl-2-(cyclopropylamino)-3-heptoxypropanamide
CID 63920728
3-(2-butoxyethoxy)-2-cyclopropyl-2-(ethylamino)propanamide
CID 63919349
2-cyclopropyl-3-octoxy-2-(propan-2-ylamino)propanamide
CID 63918759
2-cyclopropyl-3-(2-methylpentoxy)-2-(propylamino)propanamide
CID 103285031
2-cyclopropyl-3-(oxan-4-ylmethoxy)-2-(propylamino)propanamide
CID 63920997
ethyl 2-cyclopropyl-3-heptoxy-2-(methylamino)propanoate
CID 63921121
2-cyclopropyl-3-(oxolan-3-yloxy)-2-(propylamino)propanamide
CID 63921207
2-cyclopropyl-3-(2-methylcyclohexyl)oxy-2-(propylamino)propanamide
CID 63919362
2-cyclopropyl-2-(ethylamino)-3-(3-methylbutoxy)propanamide
CID 63921332
2-cyclopropyl-3-octoxy-2-(propan-2-ylamino)propanoic acid
CID 63919147

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-octoxy-2-(propylamino)propanamide?
The IUPAC name of 2-cyclopropyl-3-octoxy-2-(propylamino)propanamide (CID 63921706) is 2-cyclopropyl-3-octoxy-2-(propylamino)propanamide.
What is the SMILES notation for 2-cyclopropyl-3-octoxy-2-(propylamino)propanamide?
The canonical SMILES for 2-cyclopropyl-3-octoxy-2-(propylamino)propanamide is CCCCCCCCOCC(NCCC)(C(N)=O)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-octoxy-2-(propylamino)propanamide?
The InChIKey is UWULHKSEPDETTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-3-5-6-7-8-9-13-21-14-17(16(18)20,15-10-11-15)19-12-4-2/h15,19H,3-14H2,1-2H3,(H2,18,20).
What are the key properties of 2-cyclopropyl-3-octoxy-2-(propylamino)propanamide?
2-cyclopropyl-3-octoxy-2-(propylamino)propanamide has a molecular weight of 298.47 g/mol, XLogP of 3.00, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-octoxy-2-(propylamino)propanamide is sourced from PubChem (CID 63921706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).