methyl 2-(2-methoxyanilino)-4-methylpentanoate

C14H21NO3 — CID 54890361

IUPACmethyl 2-(2-methoxyanilino)-4-methylpentanoate
SMILESCOC(=O)C(CC(C)C)Nc1ccccc1OC
InChIInChI=1S/C14H21NO3/c1-10(2)9-12(14(16)18-4)15-11-7-5-6-8-13(11)17-3/h5-8,10,12,15H,9H2,1-4H3
InChIKeyHWAOOULVAFSEMV-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.69
Rot. Bonds6

About methyl 2-(2-methoxyanilino)-4-methylpentanoate

methyl 2-(2-methoxyanilino)-4-methylpentanoate (PubChem CID 54890361) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is methyl 2-(2-methoxyanilino)-4-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-(2-methoxyanilino)-4-methylpentanoate
PubChem CID54890361
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Namemethyl 2-(2-methoxyanilino)-4-methylpentanoate
SMILESCOC(=O)C(CC(C)C)Nc1ccccc1OC
InChIInChI=1S/C14H21NO3/c1-10(2)9-12(14(16)18-4)15-11-7-5-6-8-13(11)17-3/h5-8,10,12,15H,9H2,1-4H3
InChIKeyHWAOOULVAFSEMV-UHFFFAOYSA-N
XLogP2.69
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(2-methoxyanilino)-4-methylpentanoate
CID 54890505
methyl 3-hydroxy-2-(2-methoxyanilino)propanoate
CID 104711246
1,2-dimethoxybenzene;methyl 2-acetamido-4-methylpentanoate
CID 174673868
methyl (2R)-2-[(2-methoxyphenyl)methylamino]-4-methylpentanoate
CID 101125242
methyl 3-(2-methoxyanilino)-2-methylpropanoate
CID 43538383
methyl 2-(2-methoxyphenyl)-4-methylpentanoate
CID 112508329
(2S)-2-(2-methoxyanilino)pentanoic acid
CID 40788460
ethyl 4-amino-3-(2-methoxyanilino)-4-oxobutanoate
CID 66431538
methyl 2-(2-amino-3-sulfamoylanilino)-4-methylpentanoate
CID 115992567
2-(2-methoxyanilino)-1,4-diphenylbutane-1,4-dione
CID 11760150
(2R)-2-(2-methoxyanilino)-4-oxo-4-phenylbutanoic acid
CID 1088578
2-N-(2-methoxyphenyl)propane-1,2-diamine
CID 65383995

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methoxyanilino)-4-methylpentanoate?
The IUPAC name of methyl 2-(2-methoxyanilino)-4-methylpentanoate (CID 54890361) is methyl 2-(2-methoxyanilino)-4-methylpentanoate.
What is the SMILES notation for methyl 2-(2-methoxyanilino)-4-methylpentanoate?
The canonical SMILES for methyl 2-(2-methoxyanilino)-4-methylpentanoate is COC(=O)C(CC(C)C)Nc1ccccc1OC.
What is the InChIKey of methyl 2-(2-methoxyanilino)-4-methylpentanoate?
The InChIKey is HWAOOULVAFSEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-10(2)9-12(14(16)18-4)15-11-7-5-6-8-13(11)17-3/h5-8,10,12,15H,9H2,1-4H3.
What are the key properties of methyl 2-(2-methoxyanilino)-4-methylpentanoate?
methyl 2-(2-methoxyanilino)-4-methylpentanoate has a molecular weight of 251.33 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methoxyanilino)-4-methylpentanoate is sourced from PubChem (CID 54890361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).