ethyl 2-(ethylamino)-2-methyl-4-[methyl(oxan-4-yl)amino]pentanoate

C16H32N2O3 — CID 64710194

IUPACethyl 2-(ethylamino)-2-methyl-4-[methyl(oxan-4-yl)amino]pentanoate
SMILESCCNC(C)(CC(C)N(C)C1CCOCC1)C(=O)OCC
InChIInChI=1S/C16H32N2O3/c1-6-17-16(4,15(19)21-7-2)12-13(3)18(5)14-8-10-20-11-9-14/h13-14,17H,6-12H2,1-5H3
InChIKeyXZWLVXPAPBFZKS-UHFFFAOYSA-N
MW300.44 g/mol
LogP1.81
Rot. Bonds8

About ethyl 2-(ethylamino)-2-methyl-4-[methyl(oxan-4-yl)amino]pentanoate

ethyl 2-(ethylamino)-2-methyl-4-[methyl(oxan-4-yl)amino]pentanoate (PubChem CID 64710194) has the molecular formula C16H32N2O3 and a molecular weight of 300.44 g/mol. Its IUPAC name is ethyl 2-(ethylamino)-2-methyl-4-[methyl(oxan-4-yl)amino]pentanoate.

Molecular Properties

Compound Nameethyl 2-(ethylamino)-2-methyl-4-[methyl(oxan-4-yl)amino]pentanoate
PubChem CID64710194
Molecular FormulaC16H32N2O3
Molecular Weight300.44 g/mol
Exact Mass300.24
IUPAC Nameethyl 2-(ethylamino)-2-methyl-4-[methyl(oxan-4-yl)amino]pentanoate
SMILESCCNC(C)(CC(C)N(C)C1CCOCC1)C(=O)OCC
InChIInChI=1S/C16H32N2O3/c1-6-17-16(4,15(19)21-7-2)12-13(3)18(5)14-8-10-20-11-9-14/h13-14,17H,6-12H2,1-5H3
InChIKeyXZWLVXPAPBFZKS-UHFFFAOYSA-N
XLogP1.81
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(ethylamino)-2-methyl-4-[methyl(oxan-4-yl)amino]pentanoate?
The IUPAC name of ethyl 2-(ethylamino)-2-methyl-4-[methyl(oxan-4-yl)amino]pentanoate (CID 64710194) is ethyl 2-(ethylamino)-2-methyl-4-[methyl(oxan-4-yl)amino]pentanoate.
What is the SMILES notation for ethyl 2-(ethylamino)-2-methyl-4-[methyl(oxan-4-yl)amino]pentanoate?
The canonical SMILES for ethyl 2-(ethylamino)-2-methyl-4-[methyl(oxan-4-yl)amino]pentanoate is CCNC(C)(CC(C)N(C)C1CCOCC1)C(=O)OCC.
What is the InChIKey of ethyl 2-(ethylamino)-2-methyl-4-[methyl(oxan-4-yl)amino]pentanoate?
The InChIKey is XZWLVXPAPBFZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O3/c1-6-17-16(4,15(19)21-7-2)12-13(3)18(5)14-8-10-20-11-9-14/h13-14,17H,6-12H2,1-5H3.
What are the key properties of ethyl 2-(ethylamino)-2-methyl-4-[methyl(oxan-4-yl)amino]pentanoate?
ethyl 2-(ethylamino)-2-methyl-4-[methyl(oxan-4-yl)amino]pentanoate has a molecular weight of 300.44 g/mol, XLogP of 1.81, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(ethylamino)-2-methyl-4-[methyl(oxan-4-yl)amino]pentanoate is sourced from PubChem (CID 64710194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).