2-[ethyl-(2-phenylcyclohexyl)amino]-2-methylpropanoic acid

C18H27NO2 — CID 105403589

IUPAC2-[ethyl-(2-phenylcyclohexyl)amino]-2-methylpropanoic acid
SMILESCCN(C1CCCCC1c1ccccc1)C(C)(C)C(=O)O
InChIInChI=1S/C18H27NO2/c1-4-19(18(2,3)17(20)21)16-13-9-8-12-15(16)14-10-6-5-7-11-14/h5-7,10-11,15-16H,4,8-9,12-13H2,1-3H3,(H,20,21)
InChIKeyTXTJLDVCSXIZPY-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.90
Rot. Bonds5

About 2-[ethyl-(2-phenylcyclohexyl)amino]-2-methylpropanoic acid

2-[ethyl-(2-phenylcyclohexyl)amino]-2-methylpropanoic acid (PubChem CID 105403589) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-[ethyl-(2-phenylcyclohexyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[ethyl-(2-phenylcyclohexyl)amino]-2-methylpropanoic acid
PubChem CID105403589
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name2-[ethyl-(2-phenylcyclohexyl)amino]-2-methylpropanoic acid
SMILESCCN(C1CCCCC1c1ccccc1)C(C)(C)C(=O)O
InChIInChI=1S/C18H27NO2/c1-4-19(18(2,3)17(20)21)16-13-9-8-12-15(16)14-10-6-5-7-11-14/h5-7,10-11,15-16H,4,8-9,12-13H2,1-3H3,(H,20,21)
InChIKeyTXTJLDVCSXIZPY-UHFFFAOYSA-N
XLogP3.90
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-tert-butylcyclohexyl)-ethylamino]-2-methylpropanoic acid
CID 65061717
N,N-dimethyl-2-phenylcyclohexan-1-amine
CID 14946175
2-[(1,1-dioxothian-4-yl)-ethylamino]-2-methylpropanoic acid
CID 65062009
4-[[[methyl-(2-phenylcyclopentyl)carbamoyl]amino]methyl]benzoic acid
CID 122019905
N-methyl-2-(methylsulfamoyl)-N-(2-phenylcyclohexyl)acetamide
CID 126827812
N,N-diethyl-2-[(2-phenylcyclohexyl)amino]acetamide
CID 115712662
1-cyclohexyl-1-ethyl-3-[(1S,2S)-2-phenylcyclopropyl]urea
CID 97028256
diphenylmethanone;2-phenylcyclohexan-1-ol;propanal
CID 175312849
ethyl (2S)-2-phenylcyclohexane-1-carboxylate
CID 101094608
6-[methyl-(2-phenylcyclohexyl)carbamoyl]pyridine-3-carboxylic acid
CID 136556641
1-(2-phenylcyclohexyl)propan-1-ol
CID 105403860
N-(2,2-dimethylpropyl)-2-phenylcyclohexan-1-amine
CID 61166824

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(2-phenylcyclohexyl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[ethyl-(2-phenylcyclohexyl)amino]-2-methylpropanoic acid (CID 105403589) is 2-[ethyl-(2-phenylcyclohexyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[ethyl-(2-phenylcyclohexyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[ethyl-(2-phenylcyclohexyl)amino]-2-methylpropanoic acid is CCN(C1CCCCC1c1ccccc1)C(C)(C)C(=O)O.
What is the InChIKey of 2-[ethyl-(2-phenylcyclohexyl)amino]-2-methylpropanoic acid?
The InChIKey is TXTJLDVCSXIZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-4-19(18(2,3)17(20)21)16-13-9-8-12-15(16)14-10-6-5-7-11-14/h5-7,10-11,15-16H,4,8-9,12-13H2,1-3H3,(H,20,21).
What are the key properties of 2-[ethyl-(2-phenylcyclohexyl)amino]-2-methylpropanoic acid?
2-[ethyl-(2-phenylcyclohexyl)amino]-2-methylpropanoic acid has a molecular weight of 289.42 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(2-phenylcyclohexyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 105403589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).