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

C14H28N2O3 — CID 62973499

IUPACmethyl 2-(ethylamino)-2-methyl-4-(2-methyl-1,4-oxazepan-4-yl)butanoate
SMILESCCNC(C)(CCN1CCCOC(C)C1)C(=O)OC
InChIInChI=1S/C14H28N2O3/c1-5-15-14(3,13(17)18-4)7-9-16-8-6-10-19-12(2)11-16/h12,15H,5-11H2,1-4H3
InChIKeyYEIJZDJDNWMLEC-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.03
Rot. Bonds6

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

methyl 2-(ethylamino)-2-methyl-4-(2-methyl-1,4-oxazepan-4-yl)butanoate (PubChem CID 62973499) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is methyl 2-(ethylamino)-2-methyl-4-(2-methyl-1,4-oxazepan-4-yl)butanoate.

Molecular Properties

Compound Namemethyl 2-(ethylamino)-2-methyl-4-(2-methyl-1,4-oxazepan-4-yl)butanoate
PubChem CID62973499
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Namemethyl 2-(ethylamino)-2-methyl-4-(2-methyl-1,4-oxazepan-4-yl)butanoate
SMILESCCNC(C)(CCN1CCCOC(C)C1)C(=O)OC
InChIInChI=1S/C14H28N2O3/c1-5-15-14(3,13(17)18-4)7-9-16-8-6-10-19-12(2)11-16/h12,15H,5-11H2,1-4H3
InChIKeyYEIJZDJDNWMLEC-UHFFFAOYSA-N
XLogP1.03
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.03
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)butanoate?
The IUPAC name of methyl 2-(ethylamino)-2-methyl-4-(2-methyl-1,4-oxazepan-4-yl)butanoate (CID 62973499) is methyl 2-(ethylamino)-2-methyl-4-(2-methyl-1,4-oxazepan-4-yl)butanoate.
What is the SMILES notation for methyl 2-(ethylamino)-2-methyl-4-(2-methyl-1,4-oxazepan-4-yl)butanoate?
The canonical SMILES for methyl 2-(ethylamino)-2-methyl-4-(2-methyl-1,4-oxazepan-4-yl)butanoate is CCNC(C)(CCN1CCCOC(C)C1)C(=O)OC.
What is the InChIKey of methyl 2-(ethylamino)-2-methyl-4-(2-methyl-1,4-oxazepan-4-yl)butanoate?
The InChIKey is YEIJZDJDNWMLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-5-15-14(3,13(17)18-4)7-9-16-8-6-10-19-12(2)11-16/h12,15H,5-11H2,1-4H3.
What are the key properties of methyl 2-(ethylamino)-2-methyl-4-(2-methyl-1,4-oxazepan-4-yl)butanoate?
methyl 2-(ethylamino)-2-methyl-4-(2-methyl-1,4-oxazepan-4-yl)butanoate has a molecular weight of 272.39 g/mol, XLogP of 1.03, 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)butanoate is sourced from PubChem (CID 62973499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).