methyl 3-[2-(2-methoxyethyl)anilino]-2-methylbutanoate

C15H23NO3 — CID 102905002

IUPACmethyl 3-[2-(2-methoxyethyl)anilino]-2-methylbutanoate
SMILESCOCCc1ccccc1NC(C)C(C)C(=O)OC
InChIInChI=1S/C15H23NO3/c1-11(15(17)19-4)12(2)16-14-8-6-5-7-13(14)9-10-18-3/h5-8,11-12,16H,9-10H2,1-4H3
InChIKeyMUBYHIZFXOHNKJ-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.48
Rot. Bonds7

About methyl 3-[2-(2-methoxyethyl)anilino]-2-methylbutanoate

methyl 3-[2-(2-methoxyethyl)anilino]-2-methylbutanoate (PubChem CID 102905002) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is methyl 3-[2-(2-methoxyethyl)anilino]-2-methylbutanoate.

Molecular Properties

Compound Namemethyl 3-[2-(2-methoxyethyl)anilino]-2-methylbutanoate
PubChem CID102905002
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Namemethyl 3-[2-(2-methoxyethyl)anilino]-2-methylbutanoate
SMILESCOCCc1ccccc1NC(C)C(C)C(=O)OC
InChIInChI=1S/C15H23NO3/c1-11(15(17)19-4)12(2)16-14-8-6-5-7-13(14)9-10-18-3/h5-8,11-12,16H,9-10H2,1-4H3
InChIKeyMUBYHIZFXOHNKJ-UHFFFAOYSA-N
XLogP2.48
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-[2-(2-methoxyethyl)anilino]-2-methylbutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-methoxyethyl)-N-propan-2-ylaniline
CID 102847364
2-(2-methoxyethyl)-N-(3-methylpentan-2-yl)aniline
CID 102848997
N-[2-(2-methoxyethyl)phenyl]-2-methylpropanamide
CID 18982774
3-methoxy-2-[2-(2-methoxyethyl)anilino]propanoic acid
CID 103268791
(2R)-2-amino-N-[2-(2-methoxyethyl)phenyl]-3-methylbutanamide
CID 102905806
3-[2-(2-methoxyethyl)anilino]-2-methylpropanoic acid
CID 102905114
N-(4-methoxybutan-2-yl)-2-(2-methoxyethyl)aniline
CID 102849074
N-but-3-en-2-yl-2-(2-methoxyethyl)aniline
CID 107908300
4-[1-[2-(2-methoxyethyl)anilino]ethyl]phenol
CID 102903882
N-(2,2-dimethoxyethyl)-2-(2-methoxyethyl)aniline
CID 102903791
3-[2-(2-methoxyethyl)phenyl]-1,1-dimethylurea
CID 102847778
N'-hydroxy-3-[2-(2-methoxyethyl)anilino]-2-methylpropanimidamide
CID 102906431

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(2-methoxyethyl)anilino]-2-methylbutanoate?
The IUPAC name of methyl 3-[2-(2-methoxyethyl)anilino]-2-methylbutanoate (CID 102905002) is methyl 3-[2-(2-methoxyethyl)anilino]-2-methylbutanoate.
What is the SMILES notation for methyl 3-[2-(2-methoxyethyl)anilino]-2-methylbutanoate?
The canonical SMILES for methyl 3-[2-(2-methoxyethyl)anilino]-2-methylbutanoate is COCCc1ccccc1NC(C)C(C)C(=O)OC.
What is the InChIKey of methyl 3-[2-(2-methoxyethyl)anilino]-2-methylbutanoate?
The InChIKey is MUBYHIZFXOHNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-11(15(17)19-4)12(2)16-14-8-6-5-7-13(14)9-10-18-3/h5-8,11-12,16H,9-10H2,1-4H3.
What are the key properties of methyl 3-[2-(2-methoxyethyl)anilino]-2-methylbutanoate?
methyl 3-[2-(2-methoxyethyl)anilino]-2-methylbutanoate has a molecular weight of 265.35 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(2-methoxyethyl)anilino]-2-methylbutanoate is sourced from PubChem (CID 102905002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).