ethyl 2-[1-(4-methylphenyl)propylamino]propanoate

C15H23NO2 — CID 54960073

IUPACethyl 2-[1-(4-methylphenyl)propylamino]propanoate
SMILESCCOC(=O)C(C)NC(CC)c1ccc(C)cc1
InChIInChI=1S/C15H23NO2/c1-5-14(13-9-7-11(3)8-10-13)16-12(4)15(17)18-6-2/h7-10,12,14,16H,5-6H2,1-4H3
InChIKeyDECFHIAPUFKKQC-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.99
Rot. Bonds6

About ethyl 2-[1-(4-methylphenyl)propylamino]propanoate

ethyl 2-[1-(4-methylphenyl)propylamino]propanoate (PubChem CID 54960073) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is ethyl 2-[1-(4-methylphenyl)propylamino]propanoate.

Molecular Properties

Compound Nameethyl 2-[1-(4-methylphenyl)propylamino]propanoate
PubChem CID54960073
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Nameethyl 2-[1-(4-methylphenyl)propylamino]propanoate
SMILESCCOC(=O)C(C)NC(CC)c1ccc(C)cc1
InChIInChI=1S/C15H23NO2/c1-5-14(13-9-7-11(3)8-10-13)16-12(4)15(17)18-6-2/h7-10,12,14,16H,5-6H2,1-4H3
InChIKeyDECFHIAPUFKKQC-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-2-[1-(4-ethylphenyl)propylamino]propanoate
CID 43723542
(2S)-2-[[(1R)-1-(4-bromophenyl)propyl]amino]propanamide
CID 8643345
2-amino-N-[1-(4-methylphenyl)propyl]propanamide
CID 43707472
2-amino-3-methyl-N-[1-(4-methylphenyl)propyl]pentanamide
CID 43707477
2-(carbamoylamino)-N-[1-(4-methylphenyl)propyl]propanamide
CID 112766085
2-methyl-N-[(1S)-1-(4-methylphenyl)propyl]propanamide
CID 95358385
2-methyl-N-[1-(4-methylphenyl)propyl]butanamide
CID 134024126
(2S)-N-(4-fluorophenyl)-2-[[(1S)-1-(4-methylphenyl)propyl]amino]propanamide
CID 9262715
(2S)-2-[[(1S)-1-(4-methylphenyl)propyl]amino]propan-1-ol
CID 93082647
ethyl 2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]propanoate
CID 81370863
ethyl 2-[1-(3,5-dihydroxyphenyl)ethylamino]propanoate
CID 107706335
5-amino-N-[1-(4-methylphenyl)propyl]hexanamide
CID 82848237

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(4-methylphenyl)propylamino]propanoate?
The IUPAC name of ethyl 2-[1-(4-methylphenyl)propylamino]propanoate (CID 54960073) is ethyl 2-[1-(4-methylphenyl)propylamino]propanoate.
What is the SMILES notation for ethyl 2-[1-(4-methylphenyl)propylamino]propanoate?
The canonical SMILES for ethyl 2-[1-(4-methylphenyl)propylamino]propanoate is CCOC(=O)C(C)NC(CC)c1ccc(C)cc1.
What is the InChIKey of ethyl 2-[1-(4-methylphenyl)propylamino]propanoate?
The InChIKey is DECFHIAPUFKKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-5-14(13-9-7-11(3)8-10-13)16-12(4)15(17)18-6-2/h7-10,12,14,16H,5-6H2,1-4H3.
What are the key properties of ethyl 2-[1-(4-methylphenyl)propylamino]propanoate?
ethyl 2-[1-(4-methylphenyl)propylamino]propanoate has a molecular weight of 249.35 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(4-methylphenyl)propylamino]propanoate is sourced from PubChem (CID 54960073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).