cyclopropylmethyl 2-(2,6-diethylanilino)propanoate

C17H25NO2 — CID 20574854

IUPACcyclopropylmethyl 2-(2,6-diethylanilino)propanoate
SMILESCCc1cccc(CC)c1NC(C)C(=O)OCC1CC1
InChIInChI=1S/C17H25NO2/c1-4-14-7-6-8-15(5-2)16(14)18-12(3)17(19)20-11-13-9-10-13/h6-8,12-13,18H,4-5,9-11H2,1-3H3
InChIKeyBIFOXXBFUPBHGF-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.57
Rot. Bonds7

About cyclopropylmethyl 2-(2,6-diethylanilino)propanoate

cyclopropylmethyl 2-(2,6-diethylanilino)propanoate (PubChem CID 20574854) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is cyclopropylmethyl 2-(2,6-diethylanilino)propanoate.

Molecular Properties

Compound Namecyclopropylmethyl 2-(2,6-diethylanilino)propanoate
PubChem CID20574854
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Namecyclopropylmethyl 2-(2,6-diethylanilino)propanoate
SMILESCCc1cccc(CC)c1NC(C)C(=O)OCC1CC1
InChIInChI=1S/C17H25NO2/c1-4-14-7-6-8-15(5-2)16(14)18-12(3)17(19)20-11-13-9-10-13/h6-8,12-13,18H,4-5,9-11H2,1-3H3
InChIKeyBIFOXXBFUPBHGF-UHFFFAOYSA-N
XLogP3.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclohexylmethyl 2-(2,6-diethylanilino)propanoate
CID 20574859
butyl 2-(2,6-diethylanilino)propanoate
CID 20574818
benzyl 2-(2,6-diethylanilino)propanoate
CID 20574847
2-(dimethylamino)ethyl 2-(2,6-diethylanilino)propanoate
CID 20574837
2-aminoacetic acid;cyclohexylmethyl (2S)-2-(2,6-dimethylanilino)propanoate
CID 70568702
butyl 2-(2-ethyl-6-methylanilino)propanoate
CID 20574885
cyclopropylmethyl 2-[[2-(3-chlorophenyl)acetyl]amino]propanoate
CID 22491974
2-cyanoethyl (2S)-2-(2-ethyl-6-methylanilino)propanoate
CID 54474714
2-aminoacetic acid;prop-2-enyl (2S)-2-(2-ethyl-6-methylanilino)propanoate
CID 70567030
2-(2,6-diethylanilino)-N-(4-ethylphenyl)propanamide
CID 13252290
(2,4-dichlorophenyl)methyl (2S)-2-(2-ethyl-6-methylanilino)propanoate
CID 54312998
(4-propylcyclohexyl)methyl 2-methylpropanoate
CID 175906302

Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl 2-(2,6-diethylanilino)propanoate?
The IUPAC name of cyclopropylmethyl 2-(2,6-diethylanilino)propanoate (CID 20574854) is cyclopropylmethyl 2-(2,6-diethylanilino)propanoate.
What is the SMILES notation for cyclopropylmethyl 2-(2,6-diethylanilino)propanoate?
The canonical SMILES for cyclopropylmethyl 2-(2,6-diethylanilino)propanoate is CCc1cccc(CC)c1NC(C)C(=O)OCC1CC1.
What is the InChIKey of cyclopropylmethyl 2-(2,6-diethylanilino)propanoate?
The InChIKey is BIFOXXBFUPBHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-4-14-7-6-8-15(5-2)16(14)18-12(3)17(19)20-11-13-9-10-13/h6-8,12-13,18H,4-5,9-11H2,1-3H3.
What are the key properties of cyclopropylmethyl 2-(2,6-diethylanilino)propanoate?
cyclopropylmethyl 2-(2,6-diethylanilino)propanoate has a molecular weight of 275.39 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethyl 2-(2,6-diethylanilino)propanoate is sourced from PubChem (CID 20574854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).