methyl 2-(ethylamino)-2-methyl-4-phenoxypentanoate

C15H23NO3 — CID 64706852

IUPACmethyl 2-(ethylamino)-2-methyl-4-phenoxypentanoate
SMILESCCNC(C)(CC(C)Oc1ccccc1)C(=O)OC
InChIInChI=1S/C15H23NO3/c1-5-16-15(3,14(17)18-4)11-12(2)19-13-9-7-6-8-10-13/h6-10,12,16H,5,11H2,1-4H3
InChIKeyUVFPWRULZHVEJM-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.39
Rot. Bonds7

About methyl 2-(ethylamino)-2-methyl-4-phenoxypentanoate

methyl 2-(ethylamino)-2-methyl-4-phenoxypentanoate (PubChem CID 64706852) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is methyl 2-(ethylamino)-2-methyl-4-phenoxypentanoate.

Molecular Properties

Compound Namemethyl 2-(ethylamino)-2-methyl-4-phenoxypentanoate
PubChem CID64706852
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Namemethyl 2-(ethylamino)-2-methyl-4-phenoxypentanoate
SMILESCCNC(C)(CC(C)Oc1ccccc1)C(=O)OC
InChIInChI=1S/C15H23NO3/c1-5-16-15(3,14(17)18-4)11-12(2)19-13-9-7-6-8-10-13/h6-10,12,16H,5,11H2,1-4H3
InChIKeyUVFPWRULZHVEJM-UHFFFAOYSA-N
XLogP2.39
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(2,5-dimethylphenoxy)-2-(ethylamino)-2-methylpentanoate
CID 64706636
2-(ethylamino)-4-(3-ethylphenoxy)-2-methylpentanoic acid
CID 64707386
4-(4-ethoxyphenoxy)-2-(ethylamino)-2-methylpentanamide
CID 64705782
methyl 4-[4-(hydroxymethyl)phenoxy]-2-methyl-2-(methylamino)pentanoate
CID 64708992
methyl 2-(ethylamino)-4-(2-ethylbutoxy)-2-methylpentanoate
CID 114208556
2-(cyclopropylamino)-2-methyl-4-phenoxypentanamide
CID 64706033
4,4-dimethylhexan-2-yloxybenzene
CID 143103780
methyl 4-(2-butoxyethoxy)-2-(ethylamino)-2-methylpentanoate
CID 64706315
methyl 4-(benzimidazol-1-yl)-2-(ethylamino)-2-methylpentanoate
CID 64705069
methyl 2-amino-2-methyl-4-(3-methylphenoxy)pentanoate
CID 64708498
2-(ethylamino)-4-methoxy-2-methylpentanoic acid
CID 64709074
4-(3-ethylphenoxy)-2-methyl-2-(propylamino)pentanoic acid
CID 64706561

Frequently Asked Questions

What is the IUPAC name of methyl 2-(ethylamino)-2-methyl-4-phenoxypentanoate?
The IUPAC name of methyl 2-(ethylamino)-2-methyl-4-phenoxypentanoate (CID 64706852) is methyl 2-(ethylamino)-2-methyl-4-phenoxypentanoate.
What is the SMILES notation for methyl 2-(ethylamino)-2-methyl-4-phenoxypentanoate?
The canonical SMILES for methyl 2-(ethylamino)-2-methyl-4-phenoxypentanoate is CCNC(C)(CC(C)Oc1ccccc1)C(=O)OC.
What is the InChIKey of methyl 2-(ethylamino)-2-methyl-4-phenoxypentanoate?
The InChIKey is UVFPWRULZHVEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-5-16-15(3,14(17)18-4)11-12(2)19-13-9-7-6-8-10-13/h6-10,12,16H,5,11H2,1-4H3.
What are the key properties of methyl 2-(ethylamino)-2-methyl-4-phenoxypentanoate?
methyl 2-(ethylamino)-2-methyl-4-phenoxypentanoate has a molecular weight of 265.35 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(ethylamino)-2-methyl-4-phenoxypentanoate is sourced from PubChem (CID 64706852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).