methyl 2-methyl-2-(methylamino)-4-(2,3,5-trimethylphenoxy)pentanoate

C17H27NO3 — CID 64707715

IUPACmethyl 2-methyl-2-(methylamino)-4-(2,3,5-trimethylphenoxy)pentanoate
SMILESCNC(C)(CC(C)Oc1cc(C)cc(C)c1C)C(=O)OC
InChIInChI=1S/C17H27NO3/c1-11-8-12(2)14(4)15(9-11)21-13(3)10-17(5,18-6)16(19)20-7/h8-9,13,18H,10H2,1-7H3
InChIKeyGOMZHMNMOKLDQN-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.92
Rot. Bonds6

About methyl 2-methyl-2-(methylamino)-4-(2,3,5-trimethylphenoxy)pentanoate

methyl 2-methyl-2-(methylamino)-4-(2,3,5-trimethylphenoxy)pentanoate (PubChem CID 64707715) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is methyl 2-methyl-2-(methylamino)-4-(2,3,5-trimethylphenoxy)pentanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-(methylamino)-4-(2,3,5-trimethylphenoxy)pentanoate
PubChem CID64707715
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Namemethyl 2-methyl-2-(methylamino)-4-(2,3,5-trimethylphenoxy)pentanoate
SMILESCNC(C)(CC(C)Oc1cc(C)cc(C)c1C)C(=O)OC
InChIInChI=1S/C17H27NO3/c1-11-8-12(2)14(4)15(9-11)21-13(3)10-17(5,18-6)16(19)20-7/h8-9,13,18H,10H2,1-7H3
InChIKeyGOMZHMNMOKLDQN-UHFFFAOYSA-N
XLogP2.92
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.92
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
ethyl 4-(2-fluoro-5-methylphenoxy)-2-methyl-2-(methylamino)pentanoate
CID 64855069
methyl 4-[4-(hydroxymethyl)phenoxy]-2-methyl-2-(methylamino)pentanoate
CID 64708992
ethyl 4-(5-fluoro-2-methylphenoxy)-2-methyl-2-(methylamino)pentanoate
CID 102983589
2-methyl-2-(methylamino)-4-(2-methylphenoxy)pentanoic acid
CID 64706223
ethyl 4-(2-fluoro-3-methylphenoxy)-2-methyl-2-(methylamino)pentanoate
CID 107660538
3-(2,3,5-trimethylphenoxy)butanenitrile
CID 114995149
2-methyl-3-(2,3,5-trimethylphenoxy)butan-2-ol
CID 11775739
methyl 2-methyl-2-(methylamino)-4-(3-methylbutoxy)pentanoate
CID 64706329
N-(2,2,2-trifluoroethyl)-2-(2,3,5-trimethylphenoxy)propan-1-amine
CID 55092742
(2R)-N-ethyl-2-(2,3,5-trimethylphenoxy)propanamide
CID 28631725
4-(4-methoxyphenoxy)-2-methyl-2-(methylamino)pentanamide
CID 64705841

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-(methylamino)-4-(2,3,5-trimethylphenoxy)pentanoate?
The IUPAC name of methyl 2-methyl-2-(methylamino)-4-(2,3,5-trimethylphenoxy)pentanoate (CID 64707715) is methyl 2-methyl-2-(methylamino)-4-(2,3,5-trimethylphenoxy)pentanoate.
What is the SMILES notation for methyl 2-methyl-2-(methylamino)-4-(2,3,5-trimethylphenoxy)pentanoate?
The canonical SMILES for methyl 2-methyl-2-(methylamino)-4-(2,3,5-trimethylphenoxy)pentanoate is CNC(C)(CC(C)Oc1cc(C)cc(C)c1C)C(=O)OC.
What is the InChIKey of methyl 2-methyl-2-(methylamino)-4-(2,3,5-trimethylphenoxy)pentanoate?
The InChIKey is GOMZHMNMOKLDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-11-8-12(2)14(4)15(9-11)21-13(3)10-17(5,18-6)16(19)20-7/h8-9,13,18H,10H2,1-7H3.
What are the key properties of methyl 2-methyl-2-(methylamino)-4-(2,3,5-trimethylphenoxy)pentanoate?
methyl 2-methyl-2-(methylamino)-4-(2,3,5-trimethylphenoxy)pentanoate has a molecular weight of 293.41 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-(methylamino)-4-(2,3,5-trimethylphenoxy)pentanoate is sourced from PubChem (CID 64707715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).