ethyl 4-(2-cyclobutylethoxy)-2-(propylamino)butanoate

C15H29NO3 — CID 114157841

IUPACethyl 4-(2-cyclobutylethoxy)-2-(propylamino)butanoate
SMILESCCCNC(CCOCCC1CCC1)C(=O)OCC
InChIInChI=1S/C15H29NO3/c1-3-10-16-14(15(17)19-4-2)9-12-18-11-8-13-6-5-7-13/h13-14,16H,3-12H2,1-2H3
InChIKeyHHMDWBAUITZQHS-UHFFFAOYSA-N
MW271.40 g/mol
LogP2.51
Rot. Bonds11

About ethyl 4-(2-cyclobutylethoxy)-2-(propylamino)butanoate

ethyl 4-(2-cyclobutylethoxy)-2-(propylamino)butanoate (PubChem CID 114157841) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is ethyl 4-(2-cyclobutylethoxy)-2-(propylamino)butanoate.

Molecular Properties

Compound Nameethyl 4-(2-cyclobutylethoxy)-2-(propylamino)butanoate
PubChem CID114157841
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Nameethyl 4-(2-cyclobutylethoxy)-2-(propylamino)butanoate
SMILESCCCNC(CCOCCC1CCC1)C(=O)OCC
InChIInChI=1S/C15H29NO3/c1-3-10-16-14(15(17)19-4-2)9-12-18-11-8-13-6-5-7-13/h13-14,16H,3-12H2,1-2H3
InChIKeyHHMDWBAUITZQHS-UHFFFAOYSA-N
XLogP2.51
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-(3,3-dimethylbutoxy)-2-(propylamino)butanoate
CID 66224989
ethyl 2-(2-cyclopropylethylamino)pentanoate
CID 79040275
methyl 4-(2-cyclopropylethoxy)-2-(ethylamino)butanoate
CID 106204341
ethyl 2-(propylamino)pentanoate
CID 21021838
6-(2-cyclobutylethoxy)-N-propylhexan-3-amine
CID 106201058
3-(2-cyclopropylethoxy)-2-(propylamino)propanoic acid
CID 106204336
ethyl 4-(oxetan-3-yloxy)-2-(propylamino)butanoate
CID 102607607
4-(2-cyclopropylethoxy)-2-(propan-2-ylamino)butanamide
CID 106204298
ethyl 2-(ethylamino)-4-(2-propoxyethoxy)butanoate
CID 63686784
4-cyclobutyloxy-2-(propylamino)butanamide
CID 63035850
ethyl 2-(propylamino)butanoate
CID 60795885
ethyl 2-(ethylamino)-4-(4,4,4-trifluorobutoxy)butanoate
CID 82787989

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-cyclobutylethoxy)-2-(propylamino)butanoate?
The IUPAC name of ethyl 4-(2-cyclobutylethoxy)-2-(propylamino)butanoate (CID 114157841) is ethyl 4-(2-cyclobutylethoxy)-2-(propylamino)butanoate.
What is the SMILES notation for ethyl 4-(2-cyclobutylethoxy)-2-(propylamino)butanoate?
The canonical SMILES for ethyl 4-(2-cyclobutylethoxy)-2-(propylamino)butanoate is CCCNC(CCOCCC1CCC1)C(=O)OCC.
What is the InChIKey of ethyl 4-(2-cyclobutylethoxy)-2-(propylamino)butanoate?
The InChIKey is HHMDWBAUITZQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-3-10-16-14(15(17)19-4-2)9-12-18-11-8-13-6-5-7-13/h13-14,16H,3-12H2,1-2H3.
What are the key properties of ethyl 4-(2-cyclobutylethoxy)-2-(propylamino)butanoate?
ethyl 4-(2-cyclobutylethoxy)-2-(propylamino)butanoate has a molecular weight of 271.40 g/mol, XLogP of 2.51, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-cyclobutylethoxy)-2-(propylamino)butanoate is sourced from PubChem (CID 114157841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).