ethyl 1-(methylamino)-3-octan-2-yloxycyclopentane-1-carboxylate

C17H33NO3 — CID 79646964

IUPACethyl 1-(methylamino)-3-octan-2-yloxycyclopentane-1-carboxylate
SMILESCCCCCCC(C)OC1CCC(NC)(C(=O)OCC)C1
InChIInChI=1S/C17H33NO3/c1-5-7-8-9-10-14(3)21-15-11-12-17(13-15,18-4)16(19)20-6-2/h14-15,18H,5-13H2,1-4H3
InChIKeyZIOISTGMSXMDKS-UHFFFAOYSA-N
MW299.45 g/mol
LogP3.44
Rot. Bonds10

About ethyl 1-(methylamino)-3-octan-2-yloxycyclopentane-1-carboxylate

ethyl 1-(methylamino)-3-octan-2-yloxycyclopentane-1-carboxylate (PubChem CID 79646964) has the molecular formula C17H33NO3 and a molecular weight of 299.45 g/mol. Its IUPAC name is ethyl 1-(methylamino)-3-octan-2-yloxycyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(methylamino)-3-octan-2-yloxycyclopentane-1-carboxylate
PubChem CID79646964
Molecular FormulaC17H33NO3
Molecular Weight299.45 g/mol
Exact Mass299.25
IUPAC Nameethyl 1-(methylamino)-3-octan-2-yloxycyclopentane-1-carboxylate
SMILESCCCCCCC(C)OC1CCC(NC)(C(=O)OCC)C1
InChIInChI=1S/C17H33NO3/c1-5-7-8-9-10-14(3)21-15-11-12-17(13-15,18-4)16(19)20-6-2/h14-15,18H,5-13H2,1-4H3
InChIKeyZIOISTGMSXMDKS-UHFFFAOYSA-N
XLogP3.44
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.45
LogP ≤ 53.44
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 3-(2-ethylhexoxy)-1-(methylamino)cyclopentane-1-carboxylate
CID 79646983
ethyl 1-(cyclopropylamino)-3-(1-ethoxypropan-2-yloxy)cyclopentane-1-carboxylate
CID 103489908
ethyl 1-(methylamino)-3-(2-methylbutan-2-yloxy)cyclopentane-1-carboxylate
CID 79648432
1-amino-3-octan-2-yloxycyclohexane-1-carboxamide
CID 79637541
ethyl 1-(ethylamino)-3-hexoxycyclopentane-1-carboxylate
CID 79648423
ethyl 1-(cyclopropylamino)-3-pentoxycyclopentane-1-carboxylate
CID 79648395
ethyl 1-(propylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclopentane-1-carboxylate
CID 79644712
ethyl 3-(2-methylpentoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxylate
CID 103284950
3-heptoxy-1-(methylamino)cyclopentane-1-carboxamide
CID 79648653
ethyl 1-(methylamino)-3-[methyl(3-methylbutan-2-yl)amino]cyclopentane-1-carboxylate
CID 79655405
3-heptoxy-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79648352
ethyl 1-(methylamino)-3-[methyl(propyl)amino]cyclopentane-1-carboxylate
CID 79649954

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(methylamino)-3-octan-2-yloxycyclopentane-1-carboxylate?
The IUPAC name of ethyl 1-(methylamino)-3-octan-2-yloxycyclopentane-1-carboxylate (CID 79646964) is ethyl 1-(methylamino)-3-octan-2-yloxycyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 1-(methylamino)-3-octan-2-yloxycyclopentane-1-carboxylate?
The canonical SMILES for ethyl 1-(methylamino)-3-octan-2-yloxycyclopentane-1-carboxylate is CCCCCCC(C)OC1CCC(NC)(C(=O)OCC)C1.
What is the InChIKey of ethyl 1-(methylamino)-3-octan-2-yloxycyclopentane-1-carboxylate?
The InChIKey is ZIOISTGMSXMDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO3/c1-5-7-8-9-10-14(3)21-15-11-12-17(13-15,18-4)16(19)20-6-2/h14-15,18H,5-13H2,1-4H3.
What are the key properties of ethyl 1-(methylamino)-3-octan-2-yloxycyclopentane-1-carboxylate?
ethyl 1-(methylamino)-3-octan-2-yloxycyclopentane-1-carboxylate has a molecular weight of 299.45 g/mol, XLogP of 3.44, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(methylamino)-3-octan-2-yloxycyclopentane-1-carboxylate is sourced from PubChem (CID 79646964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).