methyl 2-methyl-2-(2-methylanilino)heptanoate

C16H25NO2 — CID 80558078

IUPACmethyl 2-methyl-2-(2-methylanilino)heptanoate
SMILESCCCCCC(C)(Nc1ccccc1C)C(=O)OC
InChIInChI=1S/C16H25NO2/c1-5-6-9-12-16(3,15(18)19-4)17-14-11-8-7-10-13(14)2/h7-8,10-11,17H,5-6,9,12H2,1-4H3
InChIKeyFSNDXHUCXTWAAH-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.92
Rot. Bonds7

About methyl 2-methyl-2-(2-methylanilino)heptanoate

methyl 2-methyl-2-(2-methylanilino)heptanoate (PubChem CID 80558078) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is methyl 2-methyl-2-(2-methylanilino)heptanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-(2-methylanilino)heptanoate
PubChem CID80558078
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Namemethyl 2-methyl-2-(2-methylanilino)heptanoate
SMILESCCCCCC(C)(Nc1ccccc1C)C(=O)OC
InChIInChI=1S/C16H25NO2/c1-5-6-9-12-16(3,15(18)19-4)17-14-11-8-7-10-13(14)2/h7-8,10-11,17H,5-6,9,12H2,1-4H3
InChIKeyFSNDXHUCXTWAAH-UHFFFAOYSA-N
XLogP3.92
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(2-fluoroanilino)-2-methylheptanoate
CID 80557964
methyl 2-(2-fluoroanilino)-2-methylnonanoate
CID 63525929
methyl 2-anilino-2-methyloctanoate
CID 54890030
methyl 2-methyl-2-(3-methylanilino)octanoate
CID 63524625
ethyl 2-anilino-2-methylheptanoate
CID 80558019
ethyl 2-ethyl-2-(2-methylanilino)hexanoate
CID 63953248
methyl 2-cyclopropyl-2-(2-methylanilino)pentanoate
CID 114276044
4-methoxy-2,4-dimethyl-2-(2-methylanilino)pentanoic acid
CID 60992455
2,5-dimethyl-2-(2-methylanilino)hexanoic acid
CID 60991232
methyl 2-methyl-2-(2-methyl-4-nitroanilino)pentanoate
CID 62004558
methyl 2-(2-methylanilino)nonanoate
CID 63523567
methyl 2-methyl-2-(propylamino)octanoate
CID 60796900

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-(2-methylanilino)heptanoate?
The IUPAC name of methyl 2-methyl-2-(2-methylanilino)heptanoate (CID 80558078) is methyl 2-methyl-2-(2-methylanilino)heptanoate.
What is the SMILES notation for methyl 2-methyl-2-(2-methylanilino)heptanoate?
The canonical SMILES for methyl 2-methyl-2-(2-methylanilino)heptanoate is CCCCCC(C)(Nc1ccccc1C)C(=O)OC.
What is the InChIKey of methyl 2-methyl-2-(2-methylanilino)heptanoate?
The InChIKey is FSNDXHUCXTWAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-5-6-9-12-16(3,15(18)19-4)17-14-11-8-7-10-13(14)2/h7-8,10-11,17H,5-6,9,12H2,1-4H3.
What are the key properties of methyl 2-methyl-2-(2-methylanilino)heptanoate?
methyl 2-methyl-2-(2-methylanilino)heptanoate has a molecular weight of 263.38 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-(2-methylanilino)heptanoate is sourced from PubChem (CID 80558078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).