benzyl 2-(2,6-diethylanilino)propanoate

C20H25NO2 — CID 20574847

IUPACbenzyl 2-(2,6-diethylanilino)propanoate
SMILESCCc1cccc(CC)c1NC(C)C(=O)OCc1ccccc1
InChIInChI=1S/C20H25NO2/c1-4-17-12-9-13-18(5-2)19(17)21-15(3)20(22)23-14-16-10-7-6-8-11-16/h6-13,15,21H,4-5,14H2,1-3H3
InChIKeyLEOSKOCLASURQA-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.36
Rot. Bonds7

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

benzyl 2-(2,6-diethylanilino)propanoate (PubChem CID 20574847) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is benzyl 2-(2,6-diethylanilino)propanoate.

Molecular Properties

Compound Namebenzyl 2-(2,6-diethylanilino)propanoate
PubChem CID20574847
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Namebenzyl 2-(2,6-diethylanilino)propanoate
SMILESCCc1cccc(CC)c1NC(C)C(=O)OCc1ccccc1
InChIInChI=1S/C20H25NO2/c1-4-17-12-9-13-18(5-2)19(17)21-15(3)20(22)23-14-16-10-7-6-8-11-16/h6-13,15,21H,4-5,14H2,1-3H3
InChIKeyLEOSKOCLASURQA-UHFFFAOYSA-N
XLogP4.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopropylmethyl 2-(2,6-diethylanilino)propanoate
CID 20574854
cyclohexylmethyl 2-(2,6-diethylanilino)propanoate
CID 20574859
(3R)-3-amino-4-oxo-4-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]amino]butanoic acid
CID 102425705
benzyl (2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]propanoate
CID 16742166
benzyl (2S)-2-(methylamino)propanoate;molecular hydrogen
CID 144967680
benzyl (2S)-2-(benzylamino)propanoate
CID 15488196
benzyl 2-(4-methoxyanilino)propanoate
CID 164679734
benzyl (2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]propanoate;hydrochloride
CID 16742165
benzyl (2S)-2-[[(2S)-2-isocyanopropanoyl]amino]propanoate
CID 102036636
ethyl (2S)-2-(phenylmethoxycarbonylamino)propanoate
CID 10538700
ethyl (2R)-2-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]amino]-4-phenylbutanoate
CID 13345970
benzyl (2S)-2-aminopropanoate
CID 726858

Frequently Asked Questions

What is the IUPAC name of benzyl 2-(2,6-diethylanilino)propanoate?
The IUPAC name of benzyl 2-(2,6-diethylanilino)propanoate (CID 20574847) is benzyl 2-(2,6-diethylanilino)propanoate.
What is the SMILES notation for benzyl 2-(2,6-diethylanilino)propanoate?
The canonical SMILES for benzyl 2-(2,6-diethylanilino)propanoate is CCc1cccc(CC)c1NC(C)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-(2,6-diethylanilino)propanoate?
The InChIKey is LEOSKOCLASURQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-4-17-12-9-13-18(5-2)19(17)21-15(3)20(22)23-14-16-10-7-6-8-11-16/h6-13,15,21H,4-5,14H2,1-3H3.
What are the key properties of benzyl 2-(2,6-diethylanilino)propanoate?
benzyl 2-(2,6-diethylanilino)propanoate has a molecular weight of 311.43 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(2,6-diethylanilino)propanoate is sourced from PubChem (CID 20574847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).