[3-(ethylamino)-2-methyl-2-(2-methylpropanoyloxymethyl)-3-oxopropyl] 2-methylpropanoate

C15H27NO5 — CID 140728849

IUPAC[3-(ethylamino)-2-methyl-2-(2-methylpropanoyloxymethyl)-3-oxopropyl] 2-methylpropanoate
SMILESCCNC(=O)C(C)(COC(=O)C(C)C)COC(=O)C(C)C
InChIInChI=1S/C15H27NO5/c1-7-16-14(19)15(6,8-20-12(17)10(2)3)9-21-13(18)11(4)5/h10-11H,7-9H2,1-6H3,(H,16,19)
InChIKeyRRIIQWPXCJZQIV-UHFFFAOYSA-N
MW301.38 g/mol
LogP1.53
Rot. Bonds8

About [3-(ethylamino)-2-methyl-2-(2-methylpropanoyloxymethyl)-3-oxopropyl] 2-methylpropanoate

[3-(ethylamino)-2-methyl-2-(2-methylpropanoyloxymethyl)-3-oxopropyl] 2-methylpropanoate (PubChem CID 140728849) has the molecular formula C15H27NO5 and a molecular weight of 301.38 g/mol. Its IUPAC name is [3-(ethylamino)-2-methyl-2-(2-methylpropanoyloxymethyl)-3-oxopropyl] 2-methylpropanoate.

Molecular Properties

Compound Name[3-(ethylamino)-2-methyl-2-(2-methylpropanoyloxymethyl)-3-oxopropyl] 2-methylpropanoate
PubChem CID140728849
Molecular FormulaC15H27NO5
Molecular Weight301.38 g/mol
Exact Mass301.19
IUPAC Name[3-(ethylamino)-2-methyl-2-(2-methylpropanoyloxymethyl)-3-oxopropyl] 2-methylpropanoate
SMILESCCNC(=O)C(C)(COC(=O)C(C)C)COC(=O)C(C)C
InChIInChI=1S/C15H27NO5/c1-7-16-14(19)15(6,8-20-12(17)10(2)3)9-21-13(18)11(4)5/h10-11H,7-9H2,1-6H3,(H,16,19)
InChIKeyRRIIQWPXCJZQIV-UHFFFAOYSA-N
XLogP1.53
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(butan-2-yloxymethyl)-2-methyl-3-(2-methylpropanoyloxy)propanoate
CID 134212603
2-(aminomethyl)-N-ethyl-2-methylbutanamide
CID 114290216
(3-amino-2,2-dimethylpropyl) 2-methylpropanoate
CID 20523360
2-(ethylcarbamoylamino)ethyl 2-methylpropanoate
CID 71876541
[1-[2-(ethylcarbamoyloxymethyl)-2-methyl-3-oxobutoxy]-1-oxopropan-2-yl] 2-hydroxypropanoate
CID 58363711
ethane;N-ethyl-2,2-dimethylpropanamide
CID 142466715
[2,2-dimethyl-3-(2-methylpropanoyloxy)pentyl] 2-methylpropanoate
CID 23464144
[2-(dichloroamino)-2-methylpropyl] 2-methylpropanoate
CID 54560642
2-[(2-bromo-2-methylpropanoyl)amino]ethyl 2-methylpropanoate
CID 176959577
[2-amino-3-hydroxy-2-(hydroxymethyl)propyl] 2-methylpropanoate
CID 118105038
N,2,2-triethyl-3-methylbutanamide
CID 3016601
N,2-diethyl-3-methyl-2-propan-2-ylbutanamide
CID 141274919

Frequently Asked Questions

What is the IUPAC name of [3-(ethylamino)-2-methyl-2-(2-methylpropanoyloxymethyl)-3-oxopropyl] 2-methylpropanoate?
The IUPAC name of [3-(ethylamino)-2-methyl-2-(2-methylpropanoyloxymethyl)-3-oxopropyl] 2-methylpropanoate (CID 140728849) is [3-(ethylamino)-2-methyl-2-(2-methylpropanoyloxymethyl)-3-oxopropyl] 2-methylpropanoate.
What is the SMILES notation for [3-(ethylamino)-2-methyl-2-(2-methylpropanoyloxymethyl)-3-oxopropyl] 2-methylpropanoate?
The canonical SMILES for [3-(ethylamino)-2-methyl-2-(2-methylpropanoyloxymethyl)-3-oxopropyl] 2-methylpropanoate is CCNC(=O)C(C)(COC(=O)C(C)C)COC(=O)C(C)C.
What is the InChIKey of [3-(ethylamino)-2-methyl-2-(2-methylpropanoyloxymethyl)-3-oxopropyl] 2-methylpropanoate?
The InChIKey is RRIIQWPXCJZQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO5/c1-7-16-14(19)15(6,8-20-12(17)10(2)3)9-21-13(18)11(4)5/h10-11H,7-9H2,1-6H3,(H,16,19).
What are the key properties of [3-(ethylamino)-2-methyl-2-(2-methylpropanoyloxymethyl)-3-oxopropyl] 2-methylpropanoate?
[3-(ethylamino)-2-methyl-2-(2-methylpropanoyloxymethyl)-3-oxopropyl] 2-methylpropanoate has a molecular weight of 301.38 g/mol, XLogP of 1.53, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(ethylamino)-2-methyl-2-(2-methylpropanoyloxymethyl)-3-oxopropyl] 2-methylpropanoate is sourced from PubChem (CID 140728849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).