methyl 2-(benzylamino)-2-cyclohexylpropanoate

C17H25NO2 — CID 63320778

IUPACmethyl 2-(benzylamino)-2-cyclohexylpropanoate
SMILESCOC(=O)C(C)(NCc1ccccc1)C1CCCCC1
InChIInChI=1S/C17H25NO2/c1-17(16(19)20-2,15-11-7-4-8-12-15)18-13-14-9-5-3-6-10-14/h3,5-6,9-10,15,18H,4,7-8,11-13H2,1-2H3
InChIKeyOZBUVEGVMLVPGK-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.29
Rot. Bonds5

About methyl 2-(benzylamino)-2-cyclohexylpropanoate

methyl 2-(benzylamino)-2-cyclohexylpropanoate (PubChem CID 63320778) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is methyl 2-(benzylamino)-2-cyclohexylpropanoate.

Molecular Properties

Compound Namemethyl 2-(benzylamino)-2-cyclohexylpropanoate
PubChem CID63320778
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Namemethyl 2-(benzylamino)-2-cyclohexylpropanoate
SMILESCOC(=O)C(C)(NCc1ccccc1)C1CCCCC1
InChIInChI=1S/C17H25NO2/c1-17(16(19)20-2,15-11-7-4-8-12-15)18-13-14-9-5-3-6-10-14/h3,5-6,9-10,15,18H,4,7-8,11-13H2,1-2H3
InChIKeyOZBUVEGVMLVPGK-UHFFFAOYSA-N
XLogP3.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(benzylamino)-2-cyclohexylpropanoic acid
CID 63320736
methyl 2-(benzylamino)-2-methylpropanoate
CID 12707382
N-benzyl-2-cyclopentylpropan-2-amine
CID 115868314
methyl 2-cyclohexyl-2-(dibenzylamino)propanoate
CID 174673383
methyl (2S)-2-cyclopropyl-2-[(4-methylquinazolin-2-yl)methylamino]propanoate
CID 96567955
3-O-benzyl 1-O-methyl 2,2-dicyclohexylpropanedioate
CID 175180069
(2S)-1-(benzylamino)-2-cyclohexylpropan-2-ol
CID 129368100
2-(benzylamino)-2-cyclopentylpropanenitrile
CID 55096722
methyl 2-cyclopropyl-2-(cyclopropylmethylamino)propanoate
CID 61001123
2-cyclopentyl-3-methoxy-3-oxo-2-phenylpropanoic acid
CID 10515617
methyl 3-(benzylamino)-2,2-dimethyl-3-oxopropanoate
CID 15185516
ethyl 2-(2-benzoylhydrazinyl)-2-cyclohexylpropanoate
CID 142705382

Frequently Asked Questions

What is the IUPAC name of methyl 2-(benzylamino)-2-cyclohexylpropanoate?
The IUPAC name of methyl 2-(benzylamino)-2-cyclohexylpropanoate (CID 63320778) is methyl 2-(benzylamino)-2-cyclohexylpropanoate.
What is the SMILES notation for methyl 2-(benzylamino)-2-cyclohexylpropanoate?
The canonical SMILES for methyl 2-(benzylamino)-2-cyclohexylpropanoate is COC(=O)C(C)(NCc1ccccc1)C1CCCCC1.
What is the InChIKey of methyl 2-(benzylamino)-2-cyclohexylpropanoate?
The InChIKey is OZBUVEGVMLVPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-17(16(19)20-2,15-11-7-4-8-12-15)18-13-14-9-5-3-6-10-14/h3,5-6,9-10,15,18H,4,7-8,11-13H2,1-2H3.
What are the key properties of methyl 2-(benzylamino)-2-cyclohexylpropanoate?
methyl 2-(benzylamino)-2-cyclohexylpropanoate has a molecular weight of 275.39 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(benzylamino)-2-cyclohexylpropanoate is sourced from PubChem (CID 63320778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).