benzyl 2-[ethyl(methyl)amino]-4-methylpentanoate

C16H25NO2 — CID 142105808

IUPACbenzyl 2-[ethyl(methyl)amino]-4-methylpentanoate
SMILESCCN(C)C(CC(C)C)C(=O)OCc1ccccc1
InChIInChI=1S/C16H25NO2/c1-5-17(4)15(11-13(2)3)16(18)19-12-14-9-7-6-8-10-14/h6-10,13,15H,5,11-12H2,1-4H3
InChIKeyNBNHLELNHBWNCG-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.10
Rot. Bonds7

About benzyl 2-[ethyl(methyl)amino]-4-methylpentanoate

benzyl 2-[ethyl(methyl)amino]-4-methylpentanoate (PubChem CID 142105808) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is benzyl 2-[ethyl(methyl)amino]-4-methylpentanoate.

Molecular Properties

Compound Namebenzyl 2-[ethyl(methyl)amino]-4-methylpentanoate
PubChem CID142105808
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Namebenzyl 2-[ethyl(methyl)amino]-4-methylpentanoate
SMILESCCN(C)C(CC(C)C)C(=O)OCc1ccccc1
InChIInChI=1S/C16H25NO2/c1-5-17(4)15(11-13(2)3)16(18)19-12-14-9-7-6-8-10-14/h6-10,13,15H,5,11-12H2,1-4H3
InChIKeyNBNHLELNHBWNCG-UHFFFAOYSA-N
XLogP3.10
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 2-[cyclopentylmethyl(methyl)amino]-4-methylpentanoate
CID 59978108
4-methyl-2-phenylmethoxycarbonylpentanoic acid
CID 54223940
benzyl N-(1-amino-4-methyl-1-oxopentan-2-yl)-N-hydroxycarbamate
CID 174607780
benzyl 2-amino-4-methylpentanoate;hydrochloride
CID 19885596
benzyl 4-methyl-2-[methyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]pentanoate;hydrochloride
CID 158388388
benzyl 2-[cyclohexen-1-yl(methyl)amino]-4-methylpentanoate
CID 57212324
4-methyl-2-(1-oxo-1-phenylmethoxypropan-2-yl)pentanoic acid
CID 19087579
benzyl 2-amino-3,5-dimethylhexanoate
CID 174483486
benzyl 2-(ethylamino)-4-methylpentanoate
CID 142463414
(3R)-5-methyl-3-phenylmethoxycarbonylhexanoic acid
CID 22874407
benzyl (2R)-2-(dimethylamino)-3-methylsulfanylpropanoate
CID 59917292
benzyl N-ethyl-N-(2-methylpropyl)carbamate
CID 130580876

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[ethyl(methyl)amino]-4-methylpentanoate?
The IUPAC name of benzyl 2-[ethyl(methyl)amino]-4-methylpentanoate (CID 142105808) is benzyl 2-[ethyl(methyl)amino]-4-methylpentanoate.
What is the SMILES notation for benzyl 2-[ethyl(methyl)amino]-4-methylpentanoate?
The canonical SMILES for benzyl 2-[ethyl(methyl)amino]-4-methylpentanoate is CCN(C)C(CC(C)C)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-[ethyl(methyl)amino]-4-methylpentanoate?
The InChIKey is NBNHLELNHBWNCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-5-17(4)15(11-13(2)3)16(18)19-12-14-9-7-6-8-10-14/h6-10,13,15H,5,11-12H2,1-4H3.
What are the key properties of benzyl 2-[ethyl(methyl)amino]-4-methylpentanoate?
benzyl 2-[ethyl(methyl)amino]-4-methylpentanoate has a molecular weight of 263.38 g/mol, XLogP of 3.10, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[ethyl(methyl)amino]-4-methylpentanoate is sourced from PubChem (CID 142105808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).