2-cyclopropyl-3-octoxy-2-(propan-2-ylamino)propanamide

C17H34N2O2 — CID 63918759

IUPAC2-cyclopropyl-3-octoxy-2-(propan-2-ylamino)propanamide
SMILESCCCCCCCCOCC(NC(C)C)(C(N)=O)C1CC1
InChIInChI=1S/C17H34N2O2/c1-4-5-6-7-8-9-12-21-13-17(16(18)20,15-10-11-15)19-14(2)3/h14-15,19H,4-13H2,1-3H3,(H2,18,20)
InChIKeyXBBHOSJZNNMIAF-UHFFFAOYSA-N
MW298.47 g/mol
LogP3.00
Rot. Bonds13

About 2-cyclopropyl-3-octoxy-2-(propan-2-ylamino)propanamide

2-cyclopropyl-3-octoxy-2-(propan-2-ylamino)propanamide (PubChem CID 63918759) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is 2-cyclopropyl-3-octoxy-2-(propan-2-ylamino)propanamide.

Molecular Properties

Compound Name2-cyclopropyl-3-octoxy-2-(propan-2-ylamino)propanamide
PubChem CID63918759
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Name2-cyclopropyl-3-octoxy-2-(propan-2-ylamino)propanamide
SMILESCCCCCCCCOCC(NC(C)C)(C(N)=O)C1CC1
InChIInChI=1S/C17H34N2O2/c1-4-5-6-7-8-9-12-21-13-17(16(18)20,15-10-11-15)19-14(2)3/h14-15,19H,4-13H2,1-3H3,(H2,18,20)
InChIKeyXBBHOSJZNNMIAF-UHFFFAOYSA-N
XLogP3.00
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
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'}

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Related Compounds

2-cyclopropyl-3-octoxy-2-(propan-2-ylamino)propanoic acid
CID 63919147
ethyl 2-cyclopropyl-3-pentoxy-2-(propan-2-ylamino)propanoate
CID 63920206
2-cyclopropyl-3-(2-methoxyethoxy)-2-(propan-2-ylamino)propanamide
CID 63919567
2-cyclopropyl-2-(ethylamino)-3-heptoxypropanamide
CID 63921120
2-cyclopropyl-2-(cyclopropylamino)-3-heptoxypropanamide
CID 63920728
2-cyclopropyl-3-octoxy-2-(propylamino)propanamide
CID 63921706
3-butoxy-2-cyclopropyl-2-(ethylamino)propanamide
CID 63918660
3-(2-butoxyethoxy)-2-cyclopropyl-2-(ethylamino)propanamide
CID 63919349
2-cyclopropyl-3-(2-methylbutan-2-yloxy)-2-(propan-2-ylamino)propanamide
CID 63918574
ethyl 2-cyclopropyl-3-heptoxy-2-(methylamino)propanoate
CID 63921121
2-cyclopropyl-3-(4-ethylphenoxy)-2-(propan-2-ylamino)propanamide
CID 63919201
2-cyclopropyl-2-(ethylamino)-3-(3-methylbutoxy)propanamide
CID 63921332

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-octoxy-2-(propan-2-ylamino)propanamide?
The IUPAC name of 2-cyclopropyl-3-octoxy-2-(propan-2-ylamino)propanamide (CID 63918759) is 2-cyclopropyl-3-octoxy-2-(propan-2-ylamino)propanamide.
What is the SMILES notation for 2-cyclopropyl-3-octoxy-2-(propan-2-ylamino)propanamide?
The canonical SMILES for 2-cyclopropyl-3-octoxy-2-(propan-2-ylamino)propanamide is CCCCCCCCOCC(NC(C)C)(C(N)=O)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-octoxy-2-(propan-2-ylamino)propanamide?
The InChIKey is XBBHOSJZNNMIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-4-5-6-7-8-9-12-21-13-17(16(18)20,15-10-11-15)19-14(2)3/h14-15,19H,4-13H2,1-3H3,(H2,18,20).
What are the key properties of 2-cyclopropyl-3-octoxy-2-(propan-2-ylamino)propanamide?
2-cyclopropyl-3-octoxy-2-(propan-2-ylamino)propanamide has a molecular weight of 298.47 g/mol, XLogP of 3.00, 13 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-(propan-2-ylamino)propanamide is sourced from PubChem (CID 63918759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).