methyl 4-methoxy-2,4-dimethyl-2-(3-methylanilino)pentanoate

C16H25NO3 — CID 60994642

IUPACmethyl 4-methoxy-2,4-dimethyl-2-(3-methylanilino)pentanoate
SMILESCOC(=O)C(C)(CC(C)(C)OC)Nc1cccc(C)c1
InChIInChI=1S/C16H25NO3/c1-12-8-7-9-13(10-12)17-16(4,14(18)19-5)11-15(2,3)20-6/h7-10,17H,11H2,1-6H3
InChIKeyFPQHVAZUYSEDSB-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.15
Rot. Bonds6

About methyl 4-methoxy-2,4-dimethyl-2-(3-methylanilino)pentanoate

methyl 4-methoxy-2,4-dimethyl-2-(3-methylanilino)pentanoate (PubChem CID 60994642) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is methyl 4-methoxy-2,4-dimethyl-2-(3-methylanilino)pentanoate.

Molecular Properties

Compound Namemethyl 4-methoxy-2,4-dimethyl-2-(3-methylanilino)pentanoate
PubChem CID60994642
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Namemethyl 4-methoxy-2,4-dimethyl-2-(3-methylanilino)pentanoate
SMILESCOC(=O)C(C)(CC(C)(C)OC)Nc1cccc(C)c1
InChIInChI=1S/C16H25NO3/c1-12-8-7-9-13(10-12)17-16(4,14(18)19-5)11-15(2,3)20-6/h7-10,17H,11H2,1-6H3
InChIKeyFPQHVAZUYSEDSB-UHFFFAOYSA-N
XLogP3.15
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(3-bromoanilino)-4-methoxy-2,4-dimethylpentanoate
CID 60993424
methyl 3-methoxy-2-methyl-2-(3-methylanilino)propanoate
CID 62535893
ethyl 2-(3-fluoroanilino)-4-methoxy-2,4-dimethylpentanoate
CID 60994033
methyl 2-methyl-2-(3-methylanilino)octanoate
CID 63524625
methyl 6,6,6-trifluoro-2-methyl-2-(3-methylanilino)hexanoate
CID 116535546
2-(3-fluoroanilino)-4-methoxy-2,4-dimethylpentanamide
CID 54892277
methyl 2-(4-bromophenyl)-2-(3-methylanilino)propanoate
CID 60994076
methyl 2-(3-methylanilino)-2-pyridin-4-ylpropanoate
CID 60994077
methyl 2-(4-chlorophenyl)-2-(3-methylanilino)propanoate
CID 60993351
methyl 2-(3-chloroanilino)-2-methylbutanoate
CID 60990615
ethyl 4-methoxy-4-methyl-2-(3-methylanilino)pentanoate
CID 106675959
4-methoxy-4-methyl-2-(3-methylanilino)pentan-1-ol
CID 106676183

Frequently Asked Questions

What is the IUPAC name of methyl 4-methoxy-2,4-dimethyl-2-(3-methylanilino)pentanoate?
The IUPAC name of methyl 4-methoxy-2,4-dimethyl-2-(3-methylanilino)pentanoate (CID 60994642) is methyl 4-methoxy-2,4-dimethyl-2-(3-methylanilino)pentanoate.
What is the SMILES notation for methyl 4-methoxy-2,4-dimethyl-2-(3-methylanilino)pentanoate?
The canonical SMILES for methyl 4-methoxy-2,4-dimethyl-2-(3-methylanilino)pentanoate is COC(=O)C(C)(CC(C)(C)OC)Nc1cccc(C)c1.
What is the InChIKey of methyl 4-methoxy-2,4-dimethyl-2-(3-methylanilino)pentanoate?
The InChIKey is FPQHVAZUYSEDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-12-8-7-9-13(10-12)17-16(4,14(18)19-5)11-15(2,3)20-6/h7-10,17H,11H2,1-6H3.
What are the key properties of methyl 4-methoxy-2,4-dimethyl-2-(3-methylanilino)pentanoate?
methyl 4-methoxy-2,4-dimethyl-2-(3-methylanilino)pentanoate has a molecular weight of 279.38 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methoxy-2,4-dimethyl-2-(3-methylanilino)pentanoate is sourced from PubChem (CID 60994642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).