methyl 2-(ethylamino)-2-methyl-4-(2-methyl-1,4-oxazepan-4-yl)pentanoate

C15H30N2O3 — CID 64705542

IUPACmethyl 2-(ethylamino)-2-methyl-4-(2-methyl-1,4-oxazepan-4-yl)pentanoate
SMILESCCNC(C)(CC(C)N1CCCOC(C)C1)C(=O)OC
InChIInChI=1S/C15H30N2O3/c1-6-16-15(4,14(18)19-5)10-12(2)17-8-7-9-20-13(3)11-17/h12-13,16H,6-11H2,1-5H3
InChIKeyMWZPUFYZJYABQS-UHFFFAOYSA-N
MW286.42 g/mol
LogP1.42
Rot. Bonds6

About methyl 2-(ethylamino)-2-methyl-4-(2-methyl-1,4-oxazepan-4-yl)pentanoate

methyl 2-(ethylamino)-2-methyl-4-(2-methyl-1,4-oxazepan-4-yl)pentanoate (PubChem CID 64705542) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is methyl 2-(ethylamino)-2-methyl-4-(2-methyl-1,4-oxazepan-4-yl)pentanoate.

Molecular Properties

Compound Namemethyl 2-(ethylamino)-2-methyl-4-(2-methyl-1,4-oxazepan-4-yl)pentanoate
PubChem CID64705542
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Namemethyl 2-(ethylamino)-2-methyl-4-(2-methyl-1,4-oxazepan-4-yl)pentanoate
SMILESCCNC(C)(CC(C)N1CCCOC(C)C1)C(=O)OC
InChIInChI=1S/C15H30N2O3/c1-6-16-15(4,14(18)19-5)10-12(2)17-8-7-9-20-13(3)11-17/h12-13,16H,6-11H2,1-5H3
InChIKeyMWZPUFYZJYABQS-UHFFFAOYSA-N
XLogP1.42
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(ethylamino)-2-methyl-4-(2-methyl-1,4-oxazepan-4-yl)pentanoate?
The IUPAC name of methyl 2-(ethylamino)-2-methyl-4-(2-methyl-1,4-oxazepan-4-yl)pentanoate (CID 64705542) is methyl 2-(ethylamino)-2-methyl-4-(2-methyl-1,4-oxazepan-4-yl)pentanoate.
What is the SMILES notation for methyl 2-(ethylamino)-2-methyl-4-(2-methyl-1,4-oxazepan-4-yl)pentanoate?
The canonical SMILES for methyl 2-(ethylamino)-2-methyl-4-(2-methyl-1,4-oxazepan-4-yl)pentanoate is CCNC(C)(CC(C)N1CCCOC(C)C1)C(=O)OC.
What is the InChIKey of methyl 2-(ethylamino)-2-methyl-4-(2-methyl-1,4-oxazepan-4-yl)pentanoate?
The InChIKey is MWZPUFYZJYABQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-6-16-15(4,14(18)19-5)10-12(2)17-8-7-9-20-13(3)11-17/h12-13,16H,6-11H2,1-5H3.
What are the key properties of methyl 2-(ethylamino)-2-methyl-4-(2-methyl-1,4-oxazepan-4-yl)pentanoate?
methyl 2-(ethylamino)-2-methyl-4-(2-methyl-1,4-oxazepan-4-yl)pentanoate has a molecular weight of 286.42 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(ethylamino)-2-methyl-4-(2-methyl-1,4-oxazepan-4-yl)pentanoate is sourced from PubChem (CID 64705542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).