methyl 3-methoxy-2-methyl-2-(3-methylanilino)propanoate

C13H19NO3 — CID 62535893

IUPACmethyl 3-methoxy-2-methyl-2-(3-methylanilino)propanoate
SMILESCOCC(C)(Nc1cccc(C)c1)C(=O)OC
InChIInChI=1S/C13H19NO3/c1-10-6-5-7-11(8-10)14-13(2,9-16-3)12(15)17-4/h5-8,14H,9H2,1-4H3
InChIKeyKFJVYRCRQBVROL-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.99
Rot. Bonds5

About methyl 3-methoxy-2-methyl-2-(3-methylanilino)propanoate

methyl 3-methoxy-2-methyl-2-(3-methylanilino)propanoate (PubChem CID 62535893) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is methyl 3-methoxy-2-methyl-2-(3-methylanilino)propanoate.

Molecular Properties

Compound Namemethyl 3-methoxy-2-methyl-2-(3-methylanilino)propanoate
PubChem CID62535893
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Namemethyl 3-methoxy-2-methyl-2-(3-methylanilino)propanoate
SMILESCOCC(C)(Nc1cccc(C)c1)C(=O)OC
InChIInChI=1S/C13H19NO3/c1-10-6-5-7-11(8-10)14-13(2,9-16-3)12(15)17-4/h5-8,14H,9H2,1-4H3
InChIKeyKFJVYRCRQBVROL-UHFFFAOYSA-N
XLogP1.99
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-methoxy-2,4-dimethyl-2-(3-methylanilino)pentanoate
CID 60994642
methyl 2-methyl-2-(3-methylanilino)octanoate
CID 63524625
methyl 6,6,6-trifluoro-2-methyl-2-(3-methylanilino)hexanoate
CID 116535546
3-methoxy-2-methyl-2-N-(3-methylphenyl)propane-1,2-diamine
CID 65376955
methyl 2-(3-bromoanilino)-4-methoxy-2,4-dimethylpentanoate
CID 60993424
methyl 2-(3-chloroanilino)-2-methylbutanoate
CID 60990615
methyl 2-(4-bromophenyl)-2-(3-methylanilino)propanoate
CID 60994076
1-(2-hydroxy-3-methoxy-2-methylpropyl)-3-(3-methylphenyl)urea
CID 90501186
2-methyl-2-(3-methylanilino)nonanoic acid
CID 60994073
methyl 2-(3-methylanilino)-2-pyridin-4-ylpropanoate
CID 60994077
methyl 2-(4-chlorophenyl)-2-(3-methylanilino)propanoate
CID 60993351
1-(3-methylanilino)ethane-1,1-diol
CID 54318921

Frequently Asked Questions

What is the IUPAC name of methyl 3-methoxy-2-methyl-2-(3-methylanilino)propanoate?
The IUPAC name of methyl 3-methoxy-2-methyl-2-(3-methylanilino)propanoate (CID 62535893) is methyl 3-methoxy-2-methyl-2-(3-methylanilino)propanoate.
What is the SMILES notation for methyl 3-methoxy-2-methyl-2-(3-methylanilino)propanoate?
The canonical SMILES for methyl 3-methoxy-2-methyl-2-(3-methylanilino)propanoate is COCC(C)(Nc1cccc(C)c1)C(=O)OC.
What is the InChIKey of methyl 3-methoxy-2-methyl-2-(3-methylanilino)propanoate?
The InChIKey is KFJVYRCRQBVROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-10-6-5-7-11(8-10)14-13(2,9-16-3)12(15)17-4/h5-8,14H,9H2,1-4H3.
What are the key properties of methyl 3-methoxy-2-methyl-2-(3-methylanilino)propanoate?
methyl 3-methoxy-2-methyl-2-(3-methylanilino)propanoate has a molecular weight of 237.30 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methoxy-2-methyl-2-(3-methylanilino)propanoate is sourced from PubChem (CID 62535893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).