methyl 4-(2,5-dimethylphenoxy)-2-(ethylamino)-2-methylpentanoate

C17H27NO3 — CID 64706636

IUPACmethyl 4-(2,5-dimethylphenoxy)-2-(ethylamino)-2-methylpentanoate
SMILESCCNC(C)(CC(C)Oc1cc(C)ccc1C)C(=O)OC
InChIInChI=1S/C17H27NO3/c1-7-18-17(5,16(19)20-6)11-14(4)21-15-10-12(2)8-9-13(15)3/h8-10,14,18H,7,11H2,1-6H3
InChIKeyYFCJVCKXOIRLOH-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.00
Rot. Bonds7

About methyl 4-(2,5-dimethylphenoxy)-2-(ethylamino)-2-methylpentanoate

methyl 4-(2,5-dimethylphenoxy)-2-(ethylamino)-2-methylpentanoate (PubChem CID 64706636) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is methyl 4-(2,5-dimethylphenoxy)-2-(ethylamino)-2-methylpentanoate.

Molecular Properties

Compound Namemethyl 4-(2,5-dimethylphenoxy)-2-(ethylamino)-2-methylpentanoate
PubChem CID64706636
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Namemethyl 4-(2,5-dimethylphenoxy)-2-(ethylamino)-2-methylpentanoate
SMILESCCNC(C)(CC(C)Oc1cc(C)ccc1C)C(=O)OC
InChIInChI=1S/C17H27NO3/c1-7-18-17(5,16(19)20-6)11-14(4)21-15-10-12(2)8-9-13(15)3/h8-10,14,18H,7,11H2,1-6H3
InChIKeyYFCJVCKXOIRLOH-UHFFFAOYSA-N
XLogP3.00
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(ethylamino)-2-methyl-4-phenoxypentanoate
CID 64706852
methyl 2-methyl-2-(methylamino)-4-(2,3,5-trimethylphenoxy)pentanoate
CID 64707715
ethyl 4-(2-fluoro-5-methylphenoxy)-2-methyl-2-(methylamino)pentanoate
CID 64855069
ethyl 4-(5-fluoro-2-methylphenoxy)-2-methyl-2-(methylamino)pentanoate
CID 102983589
2-butan-2-yloxy-1,4-dimethylbenzene
CID 20737129
4-(2,5-dimethylphenyl)sulfanyl-2-(ethylamino)-2-methylpentanoic acid
CID 64711087
2-(ethylamino)-2-methyl-4-(2-methyl-5-propan-2-ylphenoxy)pentan-1-ol
CID 64811206
methyl 2-amino-2-methyl-4-(3-methylphenoxy)pentanoate
CID 64708498
methyl 2-(ethylamino)-4-(2-ethylbutoxy)-2-methylpentanoate
CID 114208556
2-(ethylamino)-4-(2-fluoro-5-methylphenoxy)-2-methylpentanenitrile
CID 64854871
methyl 4-butan-2-ylsulfanyl-2-(ethylamino)-2-methylpentanoate
CID 64709268
2-(2,5-dimethylphenoxy)-N-[6-[2-(2,5-dimethylphenoxy)propanoylamino]hexyl]propanamide
CID 4945104

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2,5-dimethylphenoxy)-2-(ethylamino)-2-methylpentanoate?
The IUPAC name of methyl 4-(2,5-dimethylphenoxy)-2-(ethylamino)-2-methylpentanoate (CID 64706636) is methyl 4-(2,5-dimethylphenoxy)-2-(ethylamino)-2-methylpentanoate.
What is the SMILES notation for methyl 4-(2,5-dimethylphenoxy)-2-(ethylamino)-2-methylpentanoate?
The canonical SMILES for methyl 4-(2,5-dimethylphenoxy)-2-(ethylamino)-2-methylpentanoate is CCNC(C)(CC(C)Oc1cc(C)ccc1C)C(=O)OC.
What is the InChIKey of methyl 4-(2,5-dimethylphenoxy)-2-(ethylamino)-2-methylpentanoate?
The InChIKey is YFCJVCKXOIRLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-7-18-17(5,16(19)20-6)11-14(4)21-15-10-12(2)8-9-13(15)3/h8-10,14,18H,7,11H2,1-6H3.
What are the key properties of methyl 4-(2,5-dimethylphenoxy)-2-(ethylamino)-2-methylpentanoate?
methyl 4-(2,5-dimethylphenoxy)-2-(ethylamino)-2-methylpentanoate has a molecular weight of 293.41 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2,5-dimethylphenoxy)-2-(ethylamino)-2-methylpentanoate is sourced from PubChem (CID 64706636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).