ethyl 2-[(2-propan-2-ylphenyl)methylamino]propanoate

C15H23NO2 — CID 171060467

IUPACethyl 2-[(2-propan-2-ylphenyl)methylamino]propanoate
SMILESCCOC(=O)C(C)NCc1ccccc1C(C)C
InChIInChI=1S/C15H23NO2/c1-5-18-15(17)12(4)16-10-13-8-6-7-9-14(13)11(2)3/h6-9,11-12,16H,5,10H2,1-4H3
InChIKeyHWLNOOOTOLAWAJ-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.85
Rot. Bonds6

About ethyl 2-[(2-propan-2-ylphenyl)methylamino]propanoate

ethyl 2-[(2-propan-2-ylphenyl)methylamino]propanoate (PubChem CID 171060467) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is ethyl 2-[(2-propan-2-ylphenyl)methylamino]propanoate.

Molecular Properties

Compound Nameethyl 2-[(2-propan-2-ylphenyl)methylamino]propanoate
PubChem CID171060467
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Nameethyl 2-[(2-propan-2-ylphenyl)methylamino]propanoate
SMILESCCOC(=O)C(C)NCc1ccccc1C(C)C
InChIInChI=1S/C15H23NO2/c1-5-18-15(17)12(4)16-10-13-8-6-7-9-14(13)11(2)3/h6-9,11-12,16H,5,10H2,1-4H3
InChIKeyHWLNOOOTOLAWAJ-UHFFFAOYSA-N
XLogP2.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[(2-ethylphenyl)methylamino]propanoate
CID 62391416
methyl 2-[[(1-ethoxy-1-oxopropan-2-yl)amino]methyl]benzoate
CID 61498557
methyl (2R)-2-[[2-(dimethoxymethyl)phenyl]methylamino]propanoate
CID 142473435
ethyl 2-[(3-chloro-2-hydroxyphenyl)methylamino]propanoate
CID 112606688
ethyl 2-(2-ethylphenyl)propanoate
CID 105459112
ethyl 2-[(2,5-dimethylphenyl)methylamino]propanoate
CID 54960586
methyl (2S)-2-[(2-hydroxyphenyl)methylamino]propanoate
CID 43723616
ethyl 2-[(4-propylphenyl)methylamino]propanoate
CID 83307592
ethyl 2-[(5-chloro-2-hydroxyphenyl)methylamino]propanoate
CID 54960730
ethyl (2S)-2-[(2-hydroxyphenyl)methylamino]-3-sulfanylpropanoate
CID 10060925
methyl 2-[(2-bromophenyl)methylamino]propanoate
CID 60691069
methyl 2-[(3-ethoxy-2-hydroxyphenyl)methylamino]propanoate
CID 60780617

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-propan-2-ylphenyl)methylamino]propanoate?
The IUPAC name of ethyl 2-[(2-propan-2-ylphenyl)methylamino]propanoate (CID 171060467) is ethyl 2-[(2-propan-2-ylphenyl)methylamino]propanoate.
What is the SMILES notation for ethyl 2-[(2-propan-2-ylphenyl)methylamino]propanoate?
The canonical SMILES for ethyl 2-[(2-propan-2-ylphenyl)methylamino]propanoate is CCOC(=O)C(C)NCc1ccccc1C(C)C.
What is the InChIKey of ethyl 2-[(2-propan-2-ylphenyl)methylamino]propanoate?
The InChIKey is HWLNOOOTOLAWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-5-18-15(17)12(4)16-10-13-8-6-7-9-14(13)11(2)3/h6-9,11-12,16H,5,10H2,1-4H3.
What are the key properties of ethyl 2-[(2-propan-2-ylphenyl)methylamino]propanoate?
ethyl 2-[(2-propan-2-ylphenyl)methylamino]propanoate has a molecular weight of 249.35 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-propan-2-ylphenyl)methylamino]propanoate is sourced from PubChem (CID 171060467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).