ethyl 2-[(3-cyclohexyloxy-2-hydroxypropyl)amino]propanoate

C14H27NO4 — CID 61499198

IUPACethyl 2-[(3-cyclohexyloxy-2-hydroxypropyl)amino]propanoate
SMILESCCOC(=O)C(C)NCC(O)COC1CCCCC1
InChIInChI=1S/C14H27NO4/c1-3-18-14(17)11(2)15-9-12(16)10-19-13-7-5-4-6-8-13/h11-13,15-16H,3-10H2,1-2H3
InChIKeyZBMCNXHZRZRCGN-UHFFFAOYSA-N
MW273.37 g/mol
LogP1.24
Rot. Bonds8

About ethyl 2-[(3-cyclohexyloxy-2-hydroxypropyl)amino]propanoate

ethyl 2-[(3-cyclohexyloxy-2-hydroxypropyl)amino]propanoate (PubChem CID 61499198) has the molecular formula C14H27NO4 and a molecular weight of 273.37 g/mol. Its IUPAC name is ethyl 2-[(3-cyclohexyloxy-2-hydroxypropyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[(3-cyclohexyloxy-2-hydroxypropyl)amino]propanoate
PubChem CID61499198
Molecular FormulaC14H27NO4
Molecular Weight273.37 g/mol
Exact Mass273.19
IUPAC Nameethyl 2-[(3-cyclohexyloxy-2-hydroxypropyl)amino]propanoate
SMILESCCOC(=O)C(C)NCC(O)COC1CCCCC1
InChIInChI=1S/C14H27NO4/c1-3-18-14(17)11(2)15-9-12(16)10-19-13-7-5-4-6-8-13/h11-13,15-16H,3-10H2,1-2H3
InChIKeyZBMCNXHZRZRCGN-UHFFFAOYSA-N
XLogP1.24
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[(3-cyclopentyloxy-2-hydroxypropyl)amino]propanoate
CID 54960187
2-[(3-cyclopentyloxy-2-hydroxypropyl)amino]-N,N-dimethylpropanamide
CID 54950826
2-[(3-cyclopentyloxy-2-hydroxypropyl)amino]-N-ethyl-N-methylpropanamide
CID 103108529
1-cyclohexyloxy-3-(hexan-2-ylamino)propan-2-ol
CID 55049964
(E)-but-2-enedioic acid;1-cyclooctyloxy-3-(propan-2-ylamino)propan-2-ol
CID 6447189
1-[[(1S)-1-cycloheptylethyl]amino]-3-cyclopentyloxypropan-2-ol
CID 81391866
2-[(3-cyclohexyloxy-2-hydroxypropyl)amino]-2-methylpropanamide
CID 61218646
1-(4-methylcyclohexyl)oxy-3-(2-methylpentan-3-ylamino)propan-2-ol
CID 61469442
3-[(3-cyclohexyloxy-2-hydroxypropyl)amino]butan-1-ol
CID 83178126
[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]cyclohexyl]methyl propanoate
CID 140578719
2-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]propanamide
CID 54938859
1-(3-ethylpentan-2-ylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 63837233

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-cyclohexyloxy-2-hydroxypropyl)amino]propanoate?
The IUPAC name of ethyl 2-[(3-cyclohexyloxy-2-hydroxypropyl)amino]propanoate (CID 61499198) is ethyl 2-[(3-cyclohexyloxy-2-hydroxypropyl)amino]propanoate.
What is the SMILES notation for ethyl 2-[(3-cyclohexyloxy-2-hydroxypropyl)amino]propanoate?
The canonical SMILES for ethyl 2-[(3-cyclohexyloxy-2-hydroxypropyl)amino]propanoate is CCOC(=O)C(C)NCC(O)COC1CCCCC1.
What is the InChIKey of ethyl 2-[(3-cyclohexyloxy-2-hydroxypropyl)amino]propanoate?
The InChIKey is ZBMCNXHZRZRCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO4/c1-3-18-14(17)11(2)15-9-12(16)10-19-13-7-5-4-6-8-13/h11-13,15-16H,3-10H2,1-2H3.
What are the key properties of ethyl 2-[(3-cyclohexyloxy-2-hydroxypropyl)amino]propanoate?
ethyl 2-[(3-cyclohexyloxy-2-hydroxypropyl)amino]propanoate has a molecular weight of 273.37 g/mol, XLogP of 1.24, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-cyclohexyloxy-2-hydroxypropyl)amino]propanoate is sourced from PubChem (CID 61499198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).