cyclohexyl 4-amino-4-phenylbutanoate

C16H23NO2 — CID 61279831

IUPACcyclohexyl 4-amino-4-phenylbutanoate
SMILESNC(CCC(=O)OC1CCCCC1)c1ccccc1
InChIInChI=1S/C16H23NO2/c17-15(13-7-3-1-4-8-13)11-12-16(18)19-14-9-5-2-6-10-14/h1,3-4,7-8,14-15H,2,5-6,9-12,17H2
InChIKeyLMBYZYWDCLJYNO-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.34
Rot. Bonds5

About cyclohexyl 4-amino-4-phenylbutanoate

cyclohexyl 4-amino-4-phenylbutanoate (PubChem CID 61279831) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is cyclohexyl 4-amino-4-phenylbutanoate.

Molecular Properties

Compound Namecyclohexyl 4-amino-4-phenylbutanoate
PubChem CID61279831
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Namecyclohexyl 4-amino-4-phenylbutanoate
SMILESNC(CCC(=O)OC1CCCCC1)c1ccccc1
InChIInChI=1S/C16H23NO2/c17-15(13-7-3-1-4-8-13)11-12-16(18)19-14-9-5-2-6-10-14/h1,3-4,7-8,14-15H,2,5-6,9-12,17H2
InChIKeyLMBYZYWDCLJYNO-UHFFFAOYSA-N
XLogP3.34
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze cyclohexyl 4-amino-4-phenylbutanoate 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

1-O-benzyl 5-O-cyclohexyl 2-aminopentanedioate
CID 75982869
cyclohexyl 4-amino-5-(1,3-dihydroisoindol-2-yl)-5-oxopentanoate
CID 69185769
dicyclohexyl 2-phenylpropanedioate
CID 130210180
cyclododecyl 4-phenylbutanoate
CID 23159480
4-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-4-phenylbutanamide
CID 107222076
[1-[(3S)-3-amino-3-phenylpropyl]piperidin-4-yl] 2-phenylacetate
CID 174377756
4-amino-N-(cyclohexylmethyl)-N-methyl-4-phenylbutanamide
CID 63324123
cyclooctyl (2S)-2-amino-3-phenylpropanoate
CID 155077382
cyclodecyl (2S)-2-amino-3-phenylpropanoate
CID 166650895
cyclobutyl (4S)-5-phenyl-4-(phenylmethoxycarbonylamino)pentanoate
CID 177124623
3-cyclohexyl-1-phenylpropan-1-amine
CID 43110402
2-cycloheptyl-1-phenylethanamine
CID 21261900

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 4-amino-4-phenylbutanoate?
The IUPAC name of cyclohexyl 4-amino-4-phenylbutanoate (CID 61279831) is cyclohexyl 4-amino-4-phenylbutanoate.
What is the SMILES notation for cyclohexyl 4-amino-4-phenylbutanoate?
The canonical SMILES for cyclohexyl 4-amino-4-phenylbutanoate is NC(CCC(=O)OC1CCCCC1)c1ccccc1.
What is the InChIKey of cyclohexyl 4-amino-4-phenylbutanoate?
The InChIKey is LMBYZYWDCLJYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c17-15(13-7-3-1-4-8-13)11-12-16(18)19-14-9-5-2-6-10-14/h1,3-4,7-8,14-15H,2,5-6,9-12,17H2.
What are the key properties of cyclohexyl 4-amino-4-phenylbutanoate?
cyclohexyl 4-amino-4-phenylbutanoate has a molecular weight of 261.37 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 4-amino-4-phenylbutanoate is sourced from PubChem (CID 61279831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).