ethyl 2-[(4-propylphenyl)methylamino]propanoate

C15H23NO2 — CID 83307592

IUPACethyl 2-[(4-propylphenyl)methylamino]propanoate
SMILESCCCc1ccc(CNC(C)C(=O)OCC)cc1
InChIInChI=1S/C15H23NO2/c1-4-6-13-7-9-14(10-8-13)11-16-12(3)15(17)18-5-2/h7-10,12,16H,4-6,11H2,1-3H3
InChIKeyLWXIZPABBNEPNL-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.68
Rot. Bonds7

About ethyl 2-[(4-propylphenyl)methylamino]propanoate

ethyl 2-[(4-propylphenyl)methylamino]propanoate (PubChem CID 83307592) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is ethyl 2-[(4-propylphenyl)methylamino]propanoate.

Molecular Properties

Compound Nameethyl 2-[(4-propylphenyl)methylamino]propanoate
PubChem CID83307592
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Nameethyl 2-[(4-propylphenyl)methylamino]propanoate
SMILESCCCc1ccc(CNC(C)C(=O)OCC)cc1
InChIInChI=1S/C15H23NO2/c1-4-6-13-7-9-14(10-8-13)11-16-12(3)15(17)18-5-2/h7-10,12,16H,4-6,11H2,1-3H3
InChIKeyLWXIZPABBNEPNL-UHFFFAOYSA-N
XLogP2.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[(4-methylsulfanylphenyl)methylamino]propanoate
CID 54960333
methyl 2-[(4-methylphenyl)methylamino]propanoate
CID 19362169
ethyl 2-[(6-methoxy-3-pyridinyl)methylamino]propanoate
CID 62989922
ethyl 2-[(3-bromo-4-chlorophenyl)methylamino]propanoate
CID 83230089
ethyl (2S)-2-(1,3-benzodioxol-5-ylmethylamino)propanoate
CID 94214206
ethyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)propanoate
CID 61498261
ethyl 2-[(2-ethylphenyl)methylamino]propanoate
CID 62391416
ethyl 2-[(3-carbamoylphenyl)methylamino]propanoate
CID 61498569
ethyl 2-[(3-propan-2-yloxyphenyl)methylamino]propanoate
CID 61498264
ethyl 2-[(3-cyclopropylphenyl)methylamino]propanoate
CID 79979090
methyl 2-[(4-methoxyphenyl)methylamino]propanoate
CID 60780821
methyl 2-[(4-carbamoylphenyl)methylamino]propanoate
CID 60781943

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-propylphenyl)methylamino]propanoate?
The IUPAC name of ethyl 2-[(4-propylphenyl)methylamino]propanoate (CID 83307592) is ethyl 2-[(4-propylphenyl)methylamino]propanoate.
What is the SMILES notation for ethyl 2-[(4-propylphenyl)methylamino]propanoate?
The canonical SMILES for ethyl 2-[(4-propylphenyl)methylamino]propanoate is CCCc1ccc(CNC(C)C(=O)OCC)cc1.
What is the InChIKey of ethyl 2-[(4-propylphenyl)methylamino]propanoate?
The InChIKey is LWXIZPABBNEPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-4-6-13-7-9-14(10-8-13)11-16-12(3)15(17)18-5-2/h7-10,12,16H,4-6,11H2,1-3H3.
What are the key properties of ethyl 2-[(4-propylphenyl)methylamino]propanoate?
ethyl 2-[(4-propylphenyl)methylamino]propanoate has a molecular weight of 249.35 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-propylphenyl)methylamino]propanoate is sourced from PubChem (CID 83307592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).