methyl 2-(ethylamino)-4-(3-methoxy-3-methylbutoxy)-2-methylbutanoate

C14H29NO4 — CID 106666755

IUPACmethyl 2-(ethylamino)-4-(3-methoxy-3-methylbutoxy)-2-methylbutanoate
SMILESCCNC(C)(CCOCCC(C)(C)OC)C(=O)OC
InChIInChI=1S/C14H29NO4/c1-7-15-14(4,12(16)17-5)9-11-19-10-8-13(2,3)18-6/h15H,7-11H2,1-6H3
InChIKeyNXALFTQIQORACB-UHFFFAOYSA-N
MW275.39 g/mol
LogP1.75
Rot. Bonds10

About methyl 2-(ethylamino)-4-(3-methoxy-3-methylbutoxy)-2-methylbutanoate

methyl 2-(ethylamino)-4-(3-methoxy-3-methylbutoxy)-2-methylbutanoate (PubChem CID 106666755) has the molecular formula C14H29NO4 and a molecular weight of 275.39 g/mol. Its IUPAC name is methyl 2-(ethylamino)-4-(3-methoxy-3-methylbutoxy)-2-methylbutanoate.

Molecular Properties

Compound Namemethyl 2-(ethylamino)-4-(3-methoxy-3-methylbutoxy)-2-methylbutanoate
PubChem CID106666755
Molecular FormulaC14H29NO4
Molecular Weight275.39 g/mol
Exact Mass275.21
IUPAC Namemethyl 2-(ethylamino)-4-(3-methoxy-3-methylbutoxy)-2-methylbutanoate
SMILESCCNC(C)(CCOCCC(C)(C)OC)C(=O)OC
InChIInChI=1S/C14H29NO4/c1-7-15-14(4,12(16)17-5)9-11-19-10-8-13(2,3)18-6/h15H,7-11H2,1-6H3
InChIKeyNXALFTQIQORACB-UHFFFAOYSA-N
XLogP1.75
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze methyl 2-(ethylamino)-4-(3-methoxy-3-methylbutoxy)-2-methylbutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-(ethylamino)-2-methylpentanoate
CID 60788198
methyl 2-(cyclopropylamino)-4-(3-methoxy-3-methylbutoxy)-2-methylbutanoate
CID 106666818
methyl 2-(ethylamino)-5-[2-(3-methoxypropoxy)ethoxy]-2-methylpentanoate
CID 103179847
methyl 2-(ethylamino)-2-methyl-4-(2-methylpentoxy)butanoate
CID 103284956
methyl 2-(ethylamino)-2-methyl-6-(4,4,4-trifluorobutoxy)hexanoate
CID 82783283
methyl 4-(1-ethoxypropan-2-yloxy)-2-(ethylamino)-2-methylbutanoate
CID 103489912
methyl 2-(ethylamino)-2-methyl-4-(oxetan-3-yloxy)butanoate
CID 102607468
4-(3-methoxy-3-methylbutoxy)butan-2-one
CID 58421309
5-(3-methoxy-3-methylbutoxy)-2-methyl-2-(propylamino)pentanamide
CID 106666735
methyl 4-(3-ethoxyphenoxy)-2-(ethylamino)-2-methylbutanoate
CID 62336363
methyl 2-(ethylamino)-2-methyl-5-(1,1,1-trifluoropropan-2-yloxy)pentanoate
CID 66275923
methyl 2-methyl-2-(propylamino)-5-(3,3,3-trifluoropropoxy)pentanoate
CID 82957801

Frequently Asked Questions

What is the IUPAC name of methyl 2-(ethylamino)-4-(3-methoxy-3-methylbutoxy)-2-methylbutanoate?
The IUPAC name of methyl 2-(ethylamino)-4-(3-methoxy-3-methylbutoxy)-2-methylbutanoate (CID 106666755) is methyl 2-(ethylamino)-4-(3-methoxy-3-methylbutoxy)-2-methylbutanoate.
What is the SMILES notation for methyl 2-(ethylamino)-4-(3-methoxy-3-methylbutoxy)-2-methylbutanoate?
The canonical SMILES for methyl 2-(ethylamino)-4-(3-methoxy-3-methylbutoxy)-2-methylbutanoate is CCNC(C)(CCOCCC(C)(C)OC)C(=O)OC.
What is the InChIKey of methyl 2-(ethylamino)-4-(3-methoxy-3-methylbutoxy)-2-methylbutanoate?
The InChIKey is NXALFTQIQORACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO4/c1-7-15-14(4,12(16)17-5)9-11-19-10-8-13(2,3)18-6/h15H,7-11H2,1-6H3.
What are the key properties of methyl 2-(ethylamino)-4-(3-methoxy-3-methylbutoxy)-2-methylbutanoate?
methyl 2-(ethylamino)-4-(3-methoxy-3-methylbutoxy)-2-methylbutanoate has a molecular weight of 275.39 g/mol, XLogP of 1.75, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(ethylamino)-4-(3-methoxy-3-methylbutoxy)-2-methylbutanoate is sourced from PubChem (CID 106666755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).