ethyl 3-(2-methylpentoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxylate

C17H33NO3 — CID 103284950

IUPACethyl 3-(2-methylpentoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxylate
SMILESCCCC(C)COC1CCC(NC(C)C)(C(=O)OCC)C1
InChIInChI=1S/C17H33NO3/c1-6-8-14(5)12-21-15-9-10-17(11-15,18-13(3)4)16(19)20-7-2/h13-15,18H,6-12H2,1-5H3
InChIKeyJNLKRIQCCCCEKD-UHFFFAOYSA-N
MW299.46 g/mol
LogP3.29
Rot. Bonds9

About ethyl 3-(2-methylpentoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxylate

ethyl 3-(2-methylpentoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxylate (PubChem CID 103284950) has the molecular formula C17H33NO3 and a molecular weight of 299.46 g/mol. Its IUPAC name is ethyl 3-(2-methylpentoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-(2-methylpentoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxylate
PubChem CID103284950
Molecular FormulaC17H33NO3
Molecular Weight299.46 g/mol
Exact Mass299.25
IUPAC Nameethyl 3-(2-methylpentoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxylate
SMILESCCCC(C)COC1CCC(NC(C)C)(C(=O)OCC)C1
InChIInChI=1S/C17H33NO3/c1-6-8-14(5)12-21-15-9-10-17(11-15,18-13(3)4)16(19)20-7-2/h13-15,18H,6-12H2,1-5H3
InChIKeyJNLKRIQCCCCEKD-UHFFFAOYSA-N
XLogP3.29
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-(2-methoxyethoxy)-1-(propan-2-ylamino)cyclohexane-1-carboxylate
CID 79638229
ethyl 3-(oxolan-2-ylmethoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxylate
CID 79647207
ethyl 3-(2-ethylhexoxy)-1-(methylamino)cyclopentane-1-carboxylate
CID 79646983
methyl 3-pentoxy-1-(propan-2-ylamino)cyclopentane-1-carboxylate
CID 79648776
ethyl 3-(3-hydroxy-2-methylpropyl)sulfanyl-1-(propan-2-ylamino)cyclopentane-1-carboxylate
CID 79656246
3-hexoxy-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79649116
ethyl 1-(cyclopropylamino)-3-(2,2-difluoroethoxy)cyclohexane-1-carboxylate
CID 82006581
ethyl 1-(methylamino)-3-octan-2-yloxycyclopentane-1-carboxylate
CID 79646964
ethyl 4-methyl-1-(propan-2-ylamino)cycloheptane-1-carboxylate
CID 65084789
ethyl 3-(cyclopentylmethylsulfanyl)-1-(propan-2-ylamino)cyclopentane-1-carboxylate
CID 79646485
3-(4-methylpentoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79649432
methyl 3-(cyclohexylmethoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxylate
CID 79644429

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-methylpentoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxylate?
The IUPAC name of ethyl 3-(2-methylpentoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxylate (CID 103284950) is ethyl 3-(2-methylpentoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 3-(2-methylpentoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 3-(2-methylpentoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxylate is CCCC(C)COC1CCC(NC(C)C)(C(=O)OCC)C1.
What is the InChIKey of ethyl 3-(2-methylpentoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxylate?
The InChIKey is JNLKRIQCCCCEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO3/c1-6-8-14(5)12-21-15-9-10-17(11-15,18-13(3)4)16(19)20-7-2/h13-15,18H,6-12H2,1-5H3.
What are the key properties of ethyl 3-(2-methylpentoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxylate?
ethyl 3-(2-methylpentoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxylate has a molecular weight of 299.46 g/mol, XLogP of 3.29, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-methylpentoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxylate is sourced from PubChem (CID 103284950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).