ethyl 2-[4-[(2-methylpropan-2-yl)oxy]anilino]acetate

C14H21NO3 — CID 170102656

IUPACethyl 2-[4-[(2-methylpropan-2-yl)oxy]anilino]acetate
SMILESCCOC(=O)CNc1ccc(OC(C)(C)C)cc1
InChIInChI=1S/C14H21NO3/c1-5-17-13(16)10-15-11-6-8-12(9-7-11)18-14(2,3)4/h6-9,15H,5,10H2,1-4H3
InChIKeySSBVJTMCLQDCJU-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.84
Rot. Bonds5

About ethyl 2-[4-[(2-methylpropan-2-yl)oxy]anilino]acetate

ethyl 2-[4-[(2-methylpropan-2-yl)oxy]anilino]acetate (PubChem CID 170102656) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is ethyl 2-[4-[(2-methylpropan-2-yl)oxy]anilino]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[(2-methylpropan-2-yl)oxy]anilino]acetate
PubChem CID170102656
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Nameethyl 2-[4-[(2-methylpropan-2-yl)oxy]anilino]acetate
SMILESCCOC(=O)CNc1ccc(OC(C)(C)C)cc1
InChIInChI=1S/C14H21NO3/c1-5-17-13(16)10-15-11-6-8-12(9-7-11)18-14(2,3)4/h6-9,15H,5,10H2,1-4H3
InChIKeySSBVJTMCLQDCJU-UHFFFAOYSA-N
XLogP2.84
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-2-[4-[(2-methylpropan-2-yl)oxy]anilino]acetamide
CID 71997880
ethyl 2-(4-hydroxyanilino)acetate;hydrochloride
CID 68734163
ethyl 3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3-oxopropanoate
CID 22308842
ethyl 2-(4-phenylmethoxyanilino)acetate
CID 3652798
ethyl 2-[[(2S)-2-amino-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]amino]acetate;hydrochloride
CID 131714055
ethyl 2-(3,4-dihydroxyanilino)acetate
CID 22630378
ethyl 2-(3,4-dimethylanilino)acetate;hydrochloride
CID 163328951
ethyl 2-[[2-methyl-2-(4-methylphenoxy)propanoyl]amino]acetate
CID 21426069
2-(methylamino)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetamide;hydrochloride
CID 119752817
ethyl 2-(3,5-dihydroxyanilino)acetate
CID 165356173
ethyl 2-[4-(ethylamino)phenoxy]acetate
CID 69220443
ethyl 2-[(4-propan-2-yloxyphenyl)carbamoylamino]acetate
CID 43445676

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[(2-methylpropan-2-yl)oxy]anilino]acetate?
The IUPAC name of ethyl 2-[4-[(2-methylpropan-2-yl)oxy]anilino]acetate (CID 170102656) is ethyl 2-[4-[(2-methylpropan-2-yl)oxy]anilino]acetate.
What is the SMILES notation for ethyl 2-[4-[(2-methylpropan-2-yl)oxy]anilino]acetate?
The canonical SMILES for ethyl 2-[4-[(2-methylpropan-2-yl)oxy]anilino]acetate is CCOC(=O)CNc1ccc(OC(C)(C)C)cc1.
What is the InChIKey of ethyl 2-[4-[(2-methylpropan-2-yl)oxy]anilino]acetate?
The InChIKey is SSBVJTMCLQDCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-5-17-13(16)10-15-11-6-8-12(9-7-11)18-14(2,3)4/h6-9,15H,5,10H2,1-4H3.
What are the key properties of ethyl 2-[4-[(2-methylpropan-2-yl)oxy]anilino]acetate?
ethyl 2-[4-[(2-methylpropan-2-yl)oxy]anilino]acetate has a molecular weight of 251.33 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[(2-methylpropan-2-yl)oxy]anilino]acetate is sourced from PubChem (CID 170102656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).