benzyl 3-[ethyl(2-methylpropyl)amino]-2-methylpropanoate

C17H27NO2 — CID 106484249

IUPACbenzyl 3-[ethyl(2-methylpropyl)amino]-2-methylpropanoate
SMILESCCN(CC(C)C)CC(C)C(=O)OCc1ccccc1
InChIInChI=1S/C17H27NO2/c1-5-18(11-14(2)3)12-15(4)17(19)20-13-16-9-7-6-8-10-16/h6-10,14-15H,5,11-13H2,1-4H3
InChIKeyCPCRGAHPJQDYGF-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.34
Rot. Bonds8

About benzyl 3-[ethyl(2-methylpropyl)amino]-2-methylpropanoate

benzyl 3-[ethyl(2-methylpropyl)amino]-2-methylpropanoate (PubChem CID 106484249) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is benzyl 3-[ethyl(2-methylpropyl)amino]-2-methylpropanoate.

Molecular Properties

Compound Namebenzyl 3-[ethyl(2-methylpropyl)amino]-2-methylpropanoate
PubChem CID106484249
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Namebenzyl 3-[ethyl(2-methylpropyl)amino]-2-methylpropanoate
SMILESCCN(CC(C)C)CC(C)C(=O)OCc1ccccc1
InChIInChI=1S/C17H27NO2/c1-5-18(11-14(2)3)12-15(4)17(19)20-13-16-9-7-6-8-10-16/h6-10,14-15H,5,11-13H2,1-4H3
InChIKeyCPCRGAHPJQDYGF-UHFFFAOYSA-N
XLogP3.34
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-ethyl-N-(2-methylpropyl)carbamate
CID 130580876
benzyl 3-[cyclopropyl(ethyl)amino]-2-methylpropanoate
CID 106484238
benzyl 2-methyl-3-(N-methylanilino)propanoate
CID 106484216
benzyl (2R)-3-hydroxy-2-methylpropanoate
CID 102381310
benzyl 3-[cyclopropyl(methyl)amino]-2-methylpropanoate
CID 106484239
benzyl 2-methyl-3-phenylpropanoate;ethane;methoxyethane;methoxymethane
CID 160695474
benzyl 2-[ethyl(methyl)amino]-4-methylpentanoate
CID 142105808
benzyl 2-methyl-3-[methyl(2-methylsulfanylethyl)amino]propanoate
CID 106484387
benzyl (2S)-2-aminopropanoate
CID 726858
benzyl (2R)-2-methyl-3-(methylamino)propanoate
CID 131170402
benzyl (2S,4R)-2,4-dimethyl-5-oxohexanoate
CID 160638130
benzyl 2-methylhex-5-enoate
CID 14713099

Frequently Asked Questions

What is the IUPAC name of benzyl 3-[ethyl(2-methylpropyl)amino]-2-methylpropanoate?
The IUPAC name of benzyl 3-[ethyl(2-methylpropyl)amino]-2-methylpropanoate (CID 106484249) is benzyl 3-[ethyl(2-methylpropyl)amino]-2-methylpropanoate.
What is the SMILES notation for benzyl 3-[ethyl(2-methylpropyl)amino]-2-methylpropanoate?
The canonical SMILES for benzyl 3-[ethyl(2-methylpropyl)amino]-2-methylpropanoate is CCN(CC(C)C)CC(C)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 3-[ethyl(2-methylpropyl)amino]-2-methylpropanoate?
The InChIKey is CPCRGAHPJQDYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-5-18(11-14(2)3)12-15(4)17(19)20-13-16-9-7-6-8-10-16/h6-10,14-15H,5,11-13H2,1-4H3.
What are the key properties of benzyl 3-[ethyl(2-methylpropyl)amino]-2-methylpropanoate?
benzyl 3-[ethyl(2-methylpropyl)amino]-2-methylpropanoate has a molecular weight of 277.41 g/mol, XLogP of 3.34, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-[ethyl(2-methylpropyl)amino]-2-methylpropanoate is sourced from PubChem (CID 106484249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).