ethyl 3-(2-cyclohexyloxyethylamino)butanoate

C14H27NO3 — CID 63828571

IUPACethyl 3-(2-cyclohexyloxyethylamino)butanoate
SMILESCCOC(=O)CC(C)NCCOC1CCCCC1
InChIInChI=1S/C14H27NO3/c1-3-17-14(16)11-12(2)15-9-10-18-13-7-5-4-6-8-13/h12-13,15H,3-11H2,1-2H3
InChIKeyLUROXRMGCVRPDQ-UHFFFAOYSA-N
MW257.37 g/mol
LogP2.27
Rot. Bonds8

About ethyl 3-(2-cyclohexyloxyethylamino)butanoate

ethyl 3-(2-cyclohexyloxyethylamino)butanoate (PubChem CID 63828571) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is ethyl 3-(2-cyclohexyloxyethylamino)butanoate.

Molecular Properties

Compound Nameethyl 3-(2-cyclohexyloxyethylamino)butanoate
PubChem CID63828571
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Nameethyl 3-(2-cyclohexyloxyethylamino)butanoate
SMILESCCOC(=O)CC(C)NCCOC1CCCCC1
InChIInChI=1S/C14H27NO3/c1-3-17-14(16)11-12(2)15-9-10-18-13-7-5-4-6-8-13/h12-13,15H,3-11H2,1-2H3
InChIKeyLUROXRMGCVRPDQ-UHFFFAOYSA-N
XLogP2.27
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.27
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-(2-cyclopentyloxyethylamino)-4-oxobutanoate
CID 61150779
N-(2-cyclopentyloxyethyl)-1-methoxypropan-2-amine
CID 62567439
tert-butyl N-[2-(2-cyclohexyloxyethylamino)propyl]carbamate
CID 103389977
3-amino-N-(2-cyclohexyloxyethyl)butanamide
CID 63828834
ethyl 3-[[(1R)-1-cycloheptylethyl]amino]butanoate
CID 81391748
N-(2-cyclopentyloxyethyl)octan-2-amine
CID 55259713
(2R)-2-amino-N-(2-cycloheptyloxyethyl)propanamide;hydrochloride
CID 119325372
ethyl 3-[3-(2-hydroxyethoxy)propylamino]butanoate
CID 106305458
N-butyl-2-(2-cyclopentyloxyethylamino)propanamide
CID 55261648
ethyl 7-(3-cyclohexyloxypropylcarbamoylamino)heptanoate
CID 55794353
ethyl 3-[(4-ethoxy-4-oxobutyl)amino]butanoate
CID 64579524
2-(2-cyclopentyloxyethylamino)-N-(3-methylbutyl)propanamide
CID 63828200

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-cyclohexyloxyethylamino)butanoate?
The IUPAC name of ethyl 3-(2-cyclohexyloxyethylamino)butanoate (CID 63828571) is ethyl 3-(2-cyclohexyloxyethylamino)butanoate.
What is the SMILES notation for ethyl 3-(2-cyclohexyloxyethylamino)butanoate?
The canonical SMILES for ethyl 3-(2-cyclohexyloxyethylamino)butanoate is CCOC(=O)CC(C)NCCOC1CCCCC1.
What is the InChIKey of ethyl 3-(2-cyclohexyloxyethylamino)butanoate?
The InChIKey is LUROXRMGCVRPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-3-17-14(16)11-12(2)15-9-10-18-13-7-5-4-6-8-13/h12-13,15H,3-11H2,1-2H3.
What are the key properties of ethyl 3-(2-cyclohexyloxyethylamino)butanoate?
ethyl 3-(2-cyclohexyloxyethylamino)butanoate has a molecular weight of 257.37 g/mol, XLogP of 2.27, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-cyclohexyloxyethylamino)butanoate is sourced from PubChem (CID 63828571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).