methyl 2-[[2-[cyclohexyl(2-hydroxyethyl)amino]acetyl]amino]-3-phenylpropanoate

C20H30N2O4 — CID 78826843

IUPACmethyl 2-[[2-[cyclohexyl(2-hydroxyethyl)amino]acetyl]amino]-3-phenylpropanoate
SMILESCOC(=O)C(Cc1ccccc1)NC(=O)CN(CCO)C1CCCCC1
InChIInChI=1S/C20H30N2O4/c1-26-20(25)18(14-16-8-4-2-5-9-16)21-19(24)15-22(12-13-23)17-10-6-3-7-11-17/h2,4-5,8-9,17-18,23H,3,6-7,10-15H2,1H3,(H,21,24)
InChIKeyGYRFPYMDVBEEJI-UHFFFAOYSA-N
MW362.47 g/mol
LogP1.51
Rot. Bonds9

About methyl 2-[[2-[cyclohexyl(2-hydroxyethyl)amino]acetyl]amino]-3-phenylpropanoate

methyl 2-[[2-[cyclohexyl(2-hydroxyethyl)amino]acetyl]amino]-3-phenylpropanoate (PubChem CID 78826843) has the molecular formula C20H30N2O4 and a molecular weight of 362.47 g/mol. Its IUPAC name is methyl 2-[[2-[cyclohexyl(2-hydroxyethyl)amino]acetyl]amino]-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl 2-[[2-[cyclohexyl(2-hydroxyethyl)amino]acetyl]amino]-3-phenylpropanoate
PubChem CID78826843
Molecular FormulaC20H30N2O4
Molecular Weight362.47 g/mol
Exact Mass362.22
IUPAC Namemethyl 2-[[2-[cyclohexyl(2-hydroxyethyl)amino]acetyl]amino]-3-phenylpropanoate
SMILESCOC(=O)C(Cc1ccccc1)NC(=O)CN(CCO)C1CCCCC1
InChIInChI=1S/C20H30N2O4/c1-26-20(25)18(14-16-8-4-2-5-9-16)21-19(24)15-22(12-13-23)17-10-6-3-7-11-17/h2,4-5,8-9,17-18,23H,3,6-7,10-15H2,1H3,(H,21,24)
InChIKeyGYRFPYMDVBEEJI-UHFFFAOYSA-N
XLogP1.51
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[2-[cyclohexyl(2-hydroxyethyl)amino]acetyl]amino]-3-phenylpropanoate 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 (2S)-2-[3-[bis(2-hydroxyethyl)amino]propanoylamino]-3-phenylpropanoate
CID 102262378
[2-[[(2R)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl] cyclohexanecarboxylate
CID 9017205
N-[2-[cyclobutyl(2-hydroxyethyl)amino]acetyl]-2-phenylacetamide
CID 102870028
methyl (2R)-2-[[(3S)-5-(cyclohexylamino)-3-methyl-5-oxopentanoyl]amino]-3-phenylpropanoate
CID 7326241
methyl (2R)-2-[[(3R)-5-(cyclododecylamino)-3-methyl-5-oxopentanoyl]amino]-3-phenylpropanoate
CID 41263636
methyl (2R)-2-(4-hydroxybutanoylamino)-3-phenylpropanoate
CID 170714633
methyl 2-(5-hydroxypentanoylamino)-3-phenylpropanoate
CID 79198729
methyl (2S)-2-[[2-(3H-diazirin-3-yl)acetyl]amino]-3-phenylpropanoate
CID 146167000
2-[cyclopropyl(2-hydroxyethyl)amino]-N-[cyclopropyl(phenyl)methyl]acetamide
CID 110899428
methyl 2-[[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]acetyl]amino]-3-phenylpropanoate
CID 56827988
methyl (2S)-2-(3-methoxypropanoylamino)-3-phenylpropanoate
CID 146266901
[2-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl] (1R,5S)-9-oxobicyclo[3.3.1]nonane-3-carboxylate
CID 8848063

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[cyclohexyl(2-hydroxyethyl)amino]acetyl]amino]-3-phenylpropanoate?
The IUPAC name of methyl 2-[[2-[cyclohexyl(2-hydroxyethyl)amino]acetyl]amino]-3-phenylpropanoate (CID 78826843) is methyl 2-[[2-[cyclohexyl(2-hydroxyethyl)amino]acetyl]amino]-3-phenylpropanoate.
What is the SMILES notation for methyl 2-[[2-[cyclohexyl(2-hydroxyethyl)amino]acetyl]amino]-3-phenylpropanoate?
The canonical SMILES for methyl 2-[[2-[cyclohexyl(2-hydroxyethyl)amino]acetyl]amino]-3-phenylpropanoate is COC(=O)C(Cc1ccccc1)NC(=O)CN(CCO)C1CCCCC1.
What is the InChIKey of methyl 2-[[2-[cyclohexyl(2-hydroxyethyl)amino]acetyl]amino]-3-phenylpropanoate?
The InChIKey is GYRFPYMDVBEEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O4/c1-26-20(25)18(14-16-8-4-2-5-9-16)21-19(24)15-22(12-13-23)17-10-6-3-7-11-17/h2,4-5,8-9,17-18,23H,3,6-7,10-15H2,1H3,(H,21,24).
What are the key properties of methyl 2-[[2-[cyclohexyl(2-hydroxyethyl)amino]acetyl]amino]-3-phenylpropanoate?
methyl 2-[[2-[cyclohexyl(2-hydroxyethyl)amino]acetyl]amino]-3-phenylpropanoate has a molecular weight of 362.47 g/mol, XLogP of 1.51, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[cyclohexyl(2-hydroxyethyl)amino]acetyl]amino]-3-phenylpropanoate is sourced from PubChem (CID 78826843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).