propan-2-yl 2-[cyclohexyl(2-hydroxyethyl)amino]acetate

C13H25NO3 — CID 60694307

IUPACpropan-2-yl 2-[cyclohexyl(2-hydroxyethyl)amino]acetate
SMILESCC(C)OC(=O)CN(CCO)C1CCCCC1
InChIInChI=1S/C13H25NO3/c1-11(2)17-13(16)10-14(8-9-15)12-6-4-3-5-7-12/h11-12,15H,3-10H2,1-2H3
InChIKeyLMRIZSWQXZFWQI-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.57
Rot. Bonds6

About propan-2-yl 2-[cyclohexyl(2-hydroxyethyl)amino]acetate

propan-2-yl 2-[cyclohexyl(2-hydroxyethyl)amino]acetate (PubChem CID 60694307) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is propan-2-yl 2-[cyclohexyl(2-hydroxyethyl)amino]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[cyclohexyl(2-hydroxyethyl)amino]acetate
PubChem CID60694307
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Namepropan-2-yl 2-[cyclohexyl(2-hydroxyethyl)amino]acetate
SMILESCC(C)OC(=O)CN(CCO)C1CCCCC1
InChIInChI=1S/C13H25NO3/c1-11(2)17-13(16)10-14(8-9-15)12-6-4-3-5-7-12/h11-12,15H,3-10H2,1-2H3
InChIKeyLMRIZSWQXZFWQI-UHFFFAOYSA-N
XLogP1.57
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze propan-2-yl 2-[cyclohexyl(2-hydroxyethyl)amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[cyclobutyl(2-hydroxyethyl)amino]acetate
CID 102677162
1-[cyclohexyl(2-hydroxyethyl)amino]-3-methylbutan-2-one
CID 79395277
propan-2-yl 3-[cyclopropyl(2-hydroxyethyl)amino]propanoate
CID 111487445
1-[cyclohexyl(2-hydroxyethyl)amino]-3-methoxypropan-2-one
CID 107507311
2-[cyclobutyl(2-hydroxyethyl)amino]-N-cyclohexyl-N-methylacetamide
CID 102676811
3-[cycloheptyl(2-hydroxyethyl)amino]-2-methylpropanoic acid
CID 82329620
N-cyclohexyl-2-[cyclopropyl(2-hydroxyethyl)amino]-N-methylacetamide
CID 60774513
methyl 2-[cyclopentyl(6-hydroxyhexyl)amino]acetate
CID 103768668
2-[cyclohexyl(2-hydroxyethyl)amino]ethanol;nickel
CID 88833532
2-[cyclopentyl(2-hydroxyethyl)amino]-N,N-diethylacetamide
CID 62015445
N-tert-butyl-2-[cyclohexyl(2-hydroxyethyl)amino]acetamide
CID 60693925
2-[cyclobutyl(2-hydroxyethyl)amino]-N-methylacetamide
CID 102676924

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[cyclohexyl(2-hydroxyethyl)amino]acetate?
The IUPAC name of propan-2-yl 2-[cyclohexyl(2-hydroxyethyl)amino]acetate (CID 60694307) is propan-2-yl 2-[cyclohexyl(2-hydroxyethyl)amino]acetate.
What is the SMILES notation for propan-2-yl 2-[cyclohexyl(2-hydroxyethyl)amino]acetate?
The canonical SMILES for propan-2-yl 2-[cyclohexyl(2-hydroxyethyl)amino]acetate is CC(C)OC(=O)CN(CCO)C1CCCCC1.
What is the InChIKey of propan-2-yl 2-[cyclohexyl(2-hydroxyethyl)amino]acetate?
The InChIKey is LMRIZSWQXZFWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-11(2)17-13(16)10-14(8-9-15)12-6-4-3-5-7-12/h11-12,15H,3-10H2,1-2H3.
What are the key properties of propan-2-yl 2-[cyclohexyl(2-hydroxyethyl)amino]acetate?
propan-2-yl 2-[cyclohexyl(2-hydroxyethyl)amino]acetate has a molecular weight of 243.35 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[cyclohexyl(2-hydroxyethyl)amino]acetate is sourced from PubChem (CID 60694307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).