methyl 4-amino-3-(2,5-dimethoxyphenyl)-3-methylhexanoate

C16H25NO4 — CID 66098150

IUPACmethyl 4-amino-3-(2,5-dimethoxyphenyl)-3-methylhexanoate
SMILESCCC(N)C(C)(CC(=O)OC)c1cc(OC)ccc1OC
InChIInChI=1S/C16H25NO4/c1-6-14(17)16(2,10-15(18)21-5)12-9-11(19-3)7-8-13(12)20-4/h7-9,14H,6,10,17H2,1-5H3
InChIKeyDIIANMHDSCHSNJ-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.26
Rot. Bonds7

About methyl 4-amino-3-(2,5-dimethoxyphenyl)-3-methylhexanoate

methyl 4-amino-3-(2,5-dimethoxyphenyl)-3-methylhexanoate (PubChem CID 66098150) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is methyl 4-amino-3-(2,5-dimethoxyphenyl)-3-methylhexanoate.

Molecular Properties

Compound Namemethyl 4-amino-3-(2,5-dimethoxyphenyl)-3-methylhexanoate
PubChem CID66098150
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Namemethyl 4-amino-3-(2,5-dimethoxyphenyl)-3-methylhexanoate
SMILESCCC(N)C(C)(CC(=O)OC)c1cc(OC)ccc1OC
InChIInChI=1S/C16H25NO4/c1-6-14(17)16(2,10-15(18)21-5)12-9-11(19-3)7-8-13(12)20-4/h7-9,14H,6,10,17H2,1-5H3
InChIKeyDIIANMHDSCHSNJ-UHFFFAOYSA-N
XLogP2.26
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-(2,5-dimethoxyphenyl)-3-(propylamino)butanoate
CID 65236015
methyl 4-amino-3-(2-bromophenyl)-3-methylhexanoate
CID 66098993
methyl 3-amino-3-(2,4-dimethoxyphenyl)butanoate
CID 79849072
methyl 4-amino-3-methyl-3-(4-propan-2-ylphenyl)hexanoate
CID 66098770
2-(2,5-dimethoxyphenyl)-2-(2-methylpropylamino)propanamide
CID 60992136
(3S)-3-(2,5-dimethoxyphenyl)-3-hydroxybutanoic acid
CID 36690985
methyl 4-amino-3-methyl-3-(4-methylsulfanylphenyl)hexanoate
CID 66098996
methyl 4-amino-3-(4-bromothiophen-2-yl)-3-methylhexanoate
CID 107355478
methyl 3-(2,5-dimethoxyphenyl)-3-hydroxy-2-propan-2-ylbutanoate
CID 62395777
methyl 4-amino-3-methyl-3-(4-methylsulfonylphenyl)hexanoate
CID 66096883
3-(2,5-dimethoxyphenyl)-3-hydroxypentanoic acid
CID 112501672
2-(2,5-dimethoxyphenyl)-3-N,3-N-diethylpentane-2,3-diamine
CID 43830158

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-3-(2,5-dimethoxyphenyl)-3-methylhexanoate?
The IUPAC name of methyl 4-amino-3-(2,5-dimethoxyphenyl)-3-methylhexanoate (CID 66098150) is methyl 4-amino-3-(2,5-dimethoxyphenyl)-3-methylhexanoate.
What is the SMILES notation for methyl 4-amino-3-(2,5-dimethoxyphenyl)-3-methylhexanoate?
The canonical SMILES for methyl 4-amino-3-(2,5-dimethoxyphenyl)-3-methylhexanoate is CCC(N)C(C)(CC(=O)OC)c1cc(OC)ccc1OC.
What is the InChIKey of methyl 4-amino-3-(2,5-dimethoxyphenyl)-3-methylhexanoate?
The InChIKey is DIIANMHDSCHSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c1-6-14(17)16(2,10-15(18)21-5)12-9-11(19-3)7-8-13(12)20-4/h7-9,14H,6,10,17H2,1-5H3.
What are the key properties of methyl 4-amino-3-(2,5-dimethoxyphenyl)-3-methylhexanoate?
methyl 4-amino-3-(2,5-dimethoxyphenyl)-3-methylhexanoate has a molecular weight of 295.38 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-3-(2,5-dimethoxyphenyl)-3-methylhexanoate is sourced from PubChem (CID 66098150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).