2-cyclopropyl-2-(cyclopropylamino)-3-heptoxypropanamide

C16H30N2O2 — CID 63920728

IUPAC2-cyclopropyl-2-(cyclopropylamino)-3-heptoxypropanamide
SMILESCCCCCCCOCC(NC1CC1)(C(N)=O)C1CC1
InChIInChI=1S/C16H30N2O2/c1-2-3-4-5-6-11-20-12-16(15(17)19,13-7-8-13)18-14-9-10-14/h13-14,18H,2-12H2,1H3,(H2,17,19)
InChIKeyPNVHWNMBRGRFMH-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.36
Rot. Bonds12

About 2-cyclopropyl-2-(cyclopropylamino)-3-heptoxypropanamide

2-cyclopropyl-2-(cyclopropylamino)-3-heptoxypropanamide (PubChem CID 63920728) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 2-cyclopropyl-2-(cyclopropylamino)-3-heptoxypropanamide.

Molecular Properties

Compound Name2-cyclopropyl-2-(cyclopropylamino)-3-heptoxypropanamide
PubChem CID63920728
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name2-cyclopropyl-2-(cyclopropylamino)-3-heptoxypropanamide
SMILESCCCCCCCOCC(NC1CC1)(C(N)=O)C1CC1
InChIInChI=1S/C16H30N2O2/c1-2-3-4-5-6-11-20-12-16(15(17)19,13-7-8-13)18-14-9-10-14/h13-14,18H,2-12H2,1H3,(H2,17,19)
InChIKeyPNVHWNMBRGRFMH-UHFFFAOYSA-N
XLogP2.36
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.36
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-2-(ethylamino)-3-heptoxypropanamide
CID 63921120
2-cyclopropyl-3-octoxy-2-(propylamino)propanamide
CID 63921706
2-cyclopropyl-3-octoxy-2-(propan-2-ylamino)propanamide
CID 63918759
3-butoxy-2-cyclopropyl-2-(ethylamino)propanamide
CID 63918660
3-(2-butoxyethoxy)-2-cyclopropyl-2-(ethylamino)propanamide
CID 63919349
ethyl 2-cyclopropyl-3-heptoxy-2-(methylamino)propanoate
CID 63921121
methyl 2-cyclopropyl-2-(cyclopropylamino)-3-(2-propoxyethoxy)propanoate
CID 63920027
2-cyclopropyl-3-octoxy-2-(propan-2-ylamino)propanoic acid
CID 63919147
2-cyclopropyl-2-(cyclopropylamino)-3-[3-(2-methoxyethoxy)propoxy]propanoic acid
CID 103404934
2-cyclopropyl-2-(cyclopropylamino)-3-[2-(3-methoxypropoxy)ethoxy]propanoic acid
CID 103180133
ethyl 2-cyclopropyl-3-pentoxy-2-(propan-2-ylamino)propanoate
CID 63920206
2-cyclopropyl-2-(cyclopropylamino)-3-[ethyl(propyl)amino]propanamide
CID 63911092

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(cyclopropylamino)-3-heptoxypropanamide?
The IUPAC name of 2-cyclopropyl-2-(cyclopropylamino)-3-heptoxypropanamide (CID 63920728) is 2-cyclopropyl-2-(cyclopropylamino)-3-heptoxypropanamide.
What is the SMILES notation for 2-cyclopropyl-2-(cyclopropylamino)-3-heptoxypropanamide?
The canonical SMILES for 2-cyclopropyl-2-(cyclopropylamino)-3-heptoxypropanamide is CCCCCCCOCC(NC1CC1)(C(N)=O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(cyclopropylamino)-3-heptoxypropanamide?
The InChIKey is PNVHWNMBRGRFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-2-3-4-5-6-11-20-12-16(15(17)19,13-7-8-13)18-14-9-10-14/h13-14,18H,2-12H2,1H3,(H2,17,19).
What are the key properties of 2-cyclopropyl-2-(cyclopropylamino)-3-heptoxypropanamide?
2-cyclopropyl-2-(cyclopropylamino)-3-heptoxypropanamide has a molecular weight of 282.43 g/mol, XLogP of 2.36, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(cyclopropylamino)-3-heptoxypropanamide is sourced from PubChem (CID 63920728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).