methyl 2-cyclohexyl-2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]propanoate

C21H31NO3 — CID 15767416

IUPACmethyl 2-cyclohexyl-2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]propanoate
SMILESCOC(=O)C(C)(NC(=O)Cc1c(C)cc(C)cc1C)C1CCCCC1
InChIInChI=1S/C21H31NO3/c1-14-11-15(2)18(16(3)12-14)13-19(23)22-21(4,20(24)25-5)17-9-7-6-8-10-17/h11-12,17H,6-10,13H2,1-5H3,(H,22,23)
InChIKeyUFNCRYSXQIFBSB-UHFFFAOYSA-N
MW345.48 g/mol
LogP3.78
Rot. Bonds5

About methyl 2-cyclohexyl-2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]propanoate

methyl 2-cyclohexyl-2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]propanoate (PubChem CID 15767416) has the molecular formula C21H31NO3 and a molecular weight of 345.48 g/mol. Its IUPAC name is methyl 2-cyclohexyl-2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2-cyclohexyl-2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]propanoate
PubChem CID15767416
Molecular FormulaC21H31NO3
Molecular Weight345.48 g/mol
Exact Mass345.23
IUPAC Namemethyl 2-cyclohexyl-2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]propanoate
SMILESCOC(=O)C(C)(NC(=O)Cc1c(C)cc(C)cc1C)C1CCCCC1
InChIInChI=1S/C21H31NO3/c1-14-11-15(2)18(16(3)12-14)13-19(23)22-21(4,20(24)25-5)17-9-7-6-8-10-17/h11-12,17H,6-10,13H2,1-5H3,(H,22,23)
InChIKeyUFNCRYSXQIFBSB-UHFFFAOYSA-N
XLogP3.78
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.48
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-cyclopropyl-2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]propanoate
CID 15767417
methyl (2S)-2-hydroxy-2-methyl-3-[[2-(2,4,6-trimethylphenyl)acetyl]amino]propanoate
CID 129358755
N-propan-2-yl-2-(2,4,6-trimethylphenyl)acetamide
CID 110767844
N-hydroxy-2-(2,4,6-trimethylphenyl)acetamide
CID 139860051
1-(4-methoxycyclohexyl)-2-(2,4,6-trimethylphenyl)ethanone
CID 70255424
methyl 2-(benzylamino)-2-cyclohexylpropanoate
CID 63320778
methyl 2-cyclopropyl-2-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]propanoate
CID 119041888
1-(azepan-2-yl)-2-(2,4,6-trimethylphenyl)ethanone
CID 116582657
4-tert-butyl-1-[[2-(2-methoxy-4,6-dimethylphenyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 54373494
2-[4-[[[2-(2,4,6-trimethylphenyl)acetyl]amino]methyl]cyclohexyl]acetic acid
CID 166380585
methyl 2-[1-[2-oxo-3-(2,4,6-trimethylphenyl)propyl]cycloheptyl]acetate
CID 22124271
methyl 3-methyl-1-[[2-(2,4,6-trimethylphenyl)acetyl]amino]cyclohexane-1-carboxylate
CID 22904414

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclohexyl-2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]propanoate?
The IUPAC name of methyl 2-cyclohexyl-2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]propanoate (CID 15767416) is methyl 2-cyclohexyl-2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]propanoate.
What is the SMILES notation for methyl 2-cyclohexyl-2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]propanoate?
The canonical SMILES for methyl 2-cyclohexyl-2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]propanoate is COC(=O)C(C)(NC(=O)Cc1c(C)cc(C)cc1C)C1CCCCC1.
What is the InChIKey of methyl 2-cyclohexyl-2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]propanoate?
The InChIKey is UFNCRYSXQIFBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31NO3/c1-14-11-15(2)18(16(3)12-14)13-19(23)22-21(4,20(24)25-5)17-9-7-6-8-10-17/h11-12,17H,6-10,13H2,1-5H3,(H,22,23).
What are the key properties of methyl 2-cyclohexyl-2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]propanoate?
methyl 2-cyclohexyl-2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]propanoate has a molecular weight of 345.48 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclohexyl-2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]propanoate is sourced from PubChem (CID 15767416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).