methoxymethyl 4-(4-butan-2-ylanilino)butanoate

C16H25NO3 — CID 121308556

IUPACmethoxymethyl 4-(4-butan-2-ylanilino)butanoate
SMILESCCC(C)c1ccc(NCCCC(=O)OCOC)cc1
InChIInChI=1S/C16H25NO3/c1-4-13(2)14-7-9-15(10-8-14)17-11-5-6-16(18)20-12-19-3/h7-10,13,17H,4-6,11-12H2,1-3H3
InChIKeyCJSALIRFTLVTIO-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.54
Rot. Bonds9

About methoxymethyl 4-(4-butan-2-ylanilino)butanoate

methoxymethyl 4-(4-butan-2-ylanilino)butanoate (PubChem CID 121308556) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is methoxymethyl 4-(4-butan-2-ylanilino)butanoate.

Molecular Properties

Compound Namemethoxymethyl 4-(4-butan-2-ylanilino)butanoate
PubChem CID121308556
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Namemethoxymethyl 4-(4-butan-2-ylanilino)butanoate
SMILESCCC(C)c1ccc(NCCCC(=O)OCOC)cc1
InChIInChI=1S/C16H25NO3/c1-4-13(2)14-7-9-15(10-8-14)17-11-5-6-16(18)20-12-19-3/h7-10,13,17H,4-6,11-12H2,1-3H3
InChIKeyCJSALIRFTLVTIO-UHFFFAOYSA-N
XLogP3.54
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze methoxymethyl 4-(4-butan-2-ylanilino)butanoate 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

2,2,2-trifluoroethyl 4-(4-butan-2-ylanilino)butanoate
CID 121308537
2-methylbutan-2-yl 5-(4-butan-2-ylanilino)pentanoate
CID 118099311
methyl 2-[(4-butan-2-ylanilino)methyl]butanoate
CID 115252982
3-[4-[(2R)-butan-2-yl]anilino]-1-(4-methoxyphenyl)propan-1-one
CID 41098265
ethyl 4-(4-butan-2-ylanilino)-4-oxobutanoate
CID 60637740
ethyl 4-(4-carbamoylanilino)butanoate
CID 60679098
3-(4-butan-2-ylanilino)-1-(4-fluorophenyl)propan-1-one
CID 3555461
ethane;methyl 4-(4-methylanilino)butanoate
CID 170958107
[2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 8734152
ethyl 6-(4-formylanilino)hexanoate
CID 22448233
2-(2-methoxyethoxy)ethyl 4-anilinobutanoate
CID 104563449
ethyl 4-[4-(difluoromethylsulfonyl)anilino]butanoate
CID 64579141

Frequently Asked Questions

What is the IUPAC name of methoxymethyl 4-(4-butan-2-ylanilino)butanoate?
The IUPAC name of methoxymethyl 4-(4-butan-2-ylanilino)butanoate (CID 121308556) is methoxymethyl 4-(4-butan-2-ylanilino)butanoate.
What is the SMILES notation for methoxymethyl 4-(4-butan-2-ylanilino)butanoate?
The canonical SMILES for methoxymethyl 4-(4-butan-2-ylanilino)butanoate is CCC(C)c1ccc(NCCCC(=O)OCOC)cc1.
What is the InChIKey of methoxymethyl 4-(4-butan-2-ylanilino)butanoate?
The InChIKey is CJSALIRFTLVTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-4-13(2)14-7-9-15(10-8-14)17-11-5-6-16(18)20-12-19-3/h7-10,13,17H,4-6,11-12H2,1-3H3.
What are the key properties of methoxymethyl 4-(4-butan-2-ylanilino)butanoate?
methoxymethyl 4-(4-butan-2-ylanilino)butanoate has a molecular weight of 279.38 g/mol, XLogP of 3.54, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethyl 4-(4-butan-2-ylanilino)butanoate is sourced from PubChem (CID 121308556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).