tert-butyl 2-[(4-phenylcyclohexyl)amino]acetate

C18H27NO2 — CID 13312583

IUPACtert-butyl 2-[(4-phenylcyclohexyl)amino]acetate
SMILESCC(C)(C)OC(=O)CNC1CCC(c2ccccc2)CC1
InChIInChI=1S/C18H27NO2/c1-18(2,3)21-17(20)13-19-16-11-9-15(10-12-16)14-7-5-4-6-8-14/h4-8,15-16,19H,9-13H2,1-3H3
InChIKeyOJXKAKZSWKLKBC-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.64
Rot. Bonds4

About tert-butyl 2-[(4-phenylcyclohexyl)amino]acetate

tert-butyl 2-[(4-phenylcyclohexyl)amino]acetate (PubChem CID 13312583) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is tert-butyl 2-[(4-phenylcyclohexyl)amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(4-phenylcyclohexyl)amino]acetate
PubChem CID13312583
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Nametert-butyl 2-[(4-phenylcyclohexyl)amino]acetate
SMILESCC(C)(C)OC(=O)CNC1CCC(c2ccccc2)CC1
InChIInChI=1S/C18H27NO2/c1-18(2,3)21-17(20)13-19-16-11-9-15(10-12-16)14-7-5-4-6-8-14/h4-8,15-16,19H,9-13H2,1-3H3
InChIKeyOJXKAKZSWKLKBC-UHFFFAOYSA-N
XLogP3.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-3-[(4-phenylcyclohexyl)amino]propanamide
CID 103617386
N-(2,2-dimethylpropyl)-4-phenylcyclohexan-1-amine
CID 19381411
N,2,2-trimethyl-3-[(4-phenylcyclohexyl)amino]propanamide
CID 103917259
tert-butyl 2-[(3-methylcyclopentyl)amino]acetate
CID 58369136
4-[(4-phenylcyclohexyl)methylamino]cyclohexane-1-carboxylic acid
CID 122031272
3-amino-3-methyl-N-(4-phenylcyclohexyl)butanamide
CID 64683408
N,N-dimethyl-3-[(4-phenylcyclohexyl)amino]propanamide
CID 60925916
2-amino-2-methyl-N-(4-phenylcyclohexyl)butanamide
CID 79796546
2-methyl-N-[2-[(4-phenylcyclohexyl)amino]ethyl]propanamide
CID 28650865
tert-butyl N-[[2-[(cyclopropylamino)methyl]phenyl]methyl]carbamate
CID 107248664
2-methyl-1-[(4-phenylcyclohexyl)amino]pentan-2-ol
CID 103783342
[(4-phenylcyclohexyl)amino] acetate
CID 91400059

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(4-phenylcyclohexyl)amino]acetate?
The IUPAC name of tert-butyl 2-[(4-phenylcyclohexyl)amino]acetate (CID 13312583) is tert-butyl 2-[(4-phenylcyclohexyl)amino]acetate.
What is the SMILES notation for tert-butyl 2-[(4-phenylcyclohexyl)amino]acetate?
The canonical SMILES for tert-butyl 2-[(4-phenylcyclohexyl)amino]acetate is CC(C)(C)OC(=O)CNC1CCC(c2ccccc2)CC1.
What is the InChIKey of tert-butyl 2-[(4-phenylcyclohexyl)amino]acetate?
The InChIKey is OJXKAKZSWKLKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-18(2,3)21-17(20)13-19-16-11-9-15(10-12-16)14-7-5-4-6-8-14/h4-8,15-16,19H,9-13H2,1-3H3.
What are the key properties of tert-butyl 2-[(4-phenylcyclohexyl)amino]acetate?
tert-butyl 2-[(4-phenylcyclohexyl)amino]acetate has a molecular weight of 289.42 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(4-phenylcyclohexyl)amino]acetate is sourced from PubChem (CID 13312583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).