ethyl 1-[(3-ethoxy-3-oxopropyl)amino]cyclohexane-1-carboxylate

C14H25NO4 — CID 13282852

IUPACethyl 1-[(3-ethoxy-3-oxopropyl)amino]cyclohexane-1-carboxylate
SMILESCCOC(=O)CCNC1(C(=O)OCC)CCCCC1
InChIInChI=1S/C14H25NO4/c1-3-18-12(16)8-11-15-14(13(17)19-4-2)9-6-5-7-10-14/h15H,3-11H2,1-2H3
InChIKeyHAPBUFLHDYAXIB-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.80
Rot. Bonds7

About ethyl 1-[(3-ethoxy-3-oxopropyl)amino]cyclohexane-1-carboxylate

ethyl 1-[(3-ethoxy-3-oxopropyl)amino]cyclohexane-1-carboxylate (PubChem CID 13282852) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is ethyl 1-[(3-ethoxy-3-oxopropyl)amino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(3-ethoxy-3-oxopropyl)amino]cyclohexane-1-carboxylate
PubChem CID13282852
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Nameethyl 1-[(3-ethoxy-3-oxopropyl)amino]cyclohexane-1-carboxylate
SMILESCCOC(=O)CCNC1(C(=O)OCC)CCCCC1
InChIInChI=1S/C14H25NO4/c1-3-18-12(16)8-11-15-14(13(17)19-4-2)9-6-5-7-10-14/h15H,3-11H2,1-2H3
InChIKeyHAPBUFLHDYAXIB-UHFFFAOYSA-N
XLogP1.80
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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ethyl 4-methyl-1-(propylamino)cyclohexane-1-carboxylate
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ethyl 1-(cyclopentylamino)cyclooctane-1-carboxylate
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ethyl 1-(2-methoxyethylamino)-4,4-dimethylcycloheptane-1-carboxylate
CID 65086215
ethyl 3-[(1-aminocyclobutanecarbonyl)amino]propanoate
CID 81169398
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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(3-ethoxy-3-oxopropyl)amino]cyclohexane-1-carboxylate?
The IUPAC name of ethyl 1-[(3-ethoxy-3-oxopropyl)amino]cyclohexane-1-carboxylate (CID 13282852) is ethyl 1-[(3-ethoxy-3-oxopropyl)amino]cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 1-[(3-ethoxy-3-oxopropyl)amino]cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 1-[(3-ethoxy-3-oxopropyl)amino]cyclohexane-1-carboxylate is CCOC(=O)CCNC1(C(=O)OCC)CCCCC1.
What is the InChIKey of ethyl 1-[(3-ethoxy-3-oxopropyl)amino]cyclohexane-1-carboxylate?
The InChIKey is HAPBUFLHDYAXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-3-18-12(16)8-11-15-14(13(17)19-4-2)9-6-5-7-10-14/h15H,3-11H2,1-2H3.
What are the key properties of ethyl 1-[(3-ethoxy-3-oxopropyl)amino]cyclohexane-1-carboxylate?
ethyl 1-[(3-ethoxy-3-oxopropyl)amino]cyclohexane-1-carboxylate has a molecular weight of 271.36 g/mol, XLogP of 1.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(3-ethoxy-3-oxopropyl)amino]cyclohexane-1-carboxylate is sourced from PubChem (CID 13282852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).