methyl 3-(N-methyl-2-propan-2-yloxyanilino)propanoate

C14H21NO3 — CID 117029474

IUPACmethyl 3-(N-methyl-2-propan-2-yloxyanilino)propanoate
SMILESCOC(=O)CCN(C)c1ccccc1OC(C)C
InChIInChI=1S/C14H21NO3/c1-11(2)18-13-8-6-5-7-12(13)15(3)10-9-14(16)17-4/h5-8,11H,9-10H2,1-4H3
InChIKeyJSGUWASVBPQPBZ-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.47
Rot. Bonds6

About methyl 3-(N-methyl-2-propan-2-yloxyanilino)propanoate

methyl 3-(N-methyl-2-propan-2-yloxyanilino)propanoate (PubChem CID 117029474) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is methyl 3-(N-methyl-2-propan-2-yloxyanilino)propanoate.

Molecular Properties

Compound Namemethyl 3-(N-methyl-2-propan-2-yloxyanilino)propanoate
PubChem CID117029474
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Namemethyl 3-(N-methyl-2-propan-2-yloxyanilino)propanoate
SMILESCOC(=O)CCN(C)c1ccccc1OC(C)C
InChIInChI=1S/C14H21NO3/c1-11(2)18-13-8-6-5-7-12(13)15(3)10-9-14(16)17-4/h5-8,11H,9-10H2,1-4H3
InChIKeyJSGUWASVBPQPBZ-UHFFFAOYSA-N
XLogP2.47
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(2-tert-butyl-N-methylanilino)propanoate
CID 117029464
methyl 3-[methyl-(4-propan-2-yloxypyrimidin-2-yl)amino]propanoate
CID 112638970
3-[methyl-[(2-propan-2-yloxyphenyl)methyl]amino]propanoic acid
CID 119911747
3-(N-acetyl-2-propan-2-yloxyanilino)-N-(3-methylbutyl)propanamide
CID 113129740
ethyl-(2-propan-2-yloxyphenyl)carbamic acid
CID 57185215
methyl 3-(N,2,3,4-tetramethylanilino)propanoate
CID 115232358
3-(2-amino-N-methyl-3-propan-2-yloxyanilino)-N,2-dimethylpropanamide
CID 106914387
methyl 4-(2-propan-2-yloxyphenyl)but-3-ynoate
CID 170469781
3-(N-acetyl-2-propan-2-yloxyanilino)-N-(4-propan-2-yloxyphenyl)propanamide
CID 113129788
2-(N-acetyl-2-propan-2-yloxyanilino)-N,N-dimethylacetamide
CID 3026215
3-(N-acetyl-2-propan-2-yloxyanilino)-N-(2-fluorophenyl)propanamide
CID 113129771
methyl 4-[[4-hydroxy-4-[2-(N-methyl-2-propan-2-yloxyanilino)ethyl]piperidin-1-yl]methyl]benzoate;dihydrochloride
CID 21300703

Frequently Asked Questions

What is the IUPAC name of methyl 3-(N-methyl-2-propan-2-yloxyanilino)propanoate?
The IUPAC name of methyl 3-(N-methyl-2-propan-2-yloxyanilino)propanoate (CID 117029474) is methyl 3-(N-methyl-2-propan-2-yloxyanilino)propanoate.
What is the SMILES notation for methyl 3-(N-methyl-2-propan-2-yloxyanilino)propanoate?
The canonical SMILES for methyl 3-(N-methyl-2-propan-2-yloxyanilino)propanoate is COC(=O)CCN(C)c1ccccc1OC(C)C.
What is the InChIKey of methyl 3-(N-methyl-2-propan-2-yloxyanilino)propanoate?
The InChIKey is JSGUWASVBPQPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-11(2)18-13-8-6-5-7-12(13)15(3)10-9-14(16)17-4/h5-8,11H,9-10H2,1-4H3.
What are the key properties of methyl 3-(N-methyl-2-propan-2-yloxyanilino)propanoate?
methyl 3-(N-methyl-2-propan-2-yloxyanilino)propanoate has a molecular weight of 251.33 g/mol, XLogP of 2.47, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(N-methyl-2-propan-2-yloxyanilino)propanoate is sourced from PubChem (CID 117029474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).