methyl 3-[(4-ethylphenyl)methyl-(2-methoxyethyl)amino]propanoate

C16H25NO3 — CID 78983733

IUPACmethyl 3-[(4-ethylphenyl)methyl-(2-methoxyethyl)amino]propanoate
SMILESCCc1ccc(CN(CCOC)CCC(=O)OC)cc1
InChIInChI=1S/C16H25NO3/c1-4-14-5-7-15(8-6-14)13-17(11-12-19-2)10-9-16(18)20-3/h5-8H,4,9-13H2,1-3H3
InChIKeyQGTMQVGMJODYIV-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.26
Rot. Bonds9

About methyl 3-[(4-ethylphenyl)methyl-(2-methoxyethyl)amino]propanoate

methyl 3-[(4-ethylphenyl)methyl-(2-methoxyethyl)amino]propanoate (PubChem CID 78983733) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is methyl 3-[(4-ethylphenyl)methyl-(2-methoxyethyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(4-ethylphenyl)methyl-(2-methoxyethyl)amino]propanoate
PubChem CID78983733
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Namemethyl 3-[(4-ethylphenyl)methyl-(2-methoxyethyl)amino]propanoate
SMILESCCc1ccc(CN(CCOC)CCC(=O)OC)cc1
InChIInChI=1S/C16H25NO3/c1-4-14-5-7-15(8-6-14)13-17(11-12-19-2)10-9-16(18)20-3/h5-8H,4,9-13H2,1-3H3
InChIKeyQGTMQVGMJODYIV-UHFFFAOYSA-N
XLogP2.26
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[(4-ethylphenyl)methyl-methylamino]propanoate
CID 60648146
methyl 3-[(3-chlorophenyl)methyl-(2-methoxyethyl)amino]propanoate
CID 78984035
methyl 3-[ethyl-[[4-(hydroxymethyl)phenyl]methyl]amino]propanoate
CID 110008646
methyl 3-[(5-fluoro-2-methylphenyl)methyl-(2-methoxyethyl)amino]propanoate
CID 115970502
N'-[(4-ethylphenyl)methyl]-N'-(2-methoxyethyl)propane-1,3-diamine
CID 55170937
3-[4-[[bis(2-methoxyethyl)amino]methyl]phenyl]propanoic acid
CID 84758632
methyl 4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]benzoate
CID 61035373
methyl 3-[(3-bromo-5-fluorophenyl)methyl-(2-methoxyethyl)amino]propanoate
CID 79674030
methyl 3-[(2-bromo-5-methoxyphenyl)methyl-(2-methoxyethyl)amino]propanoate
CID 115536450
methyl 3-[[4-(aminomethyl)phenyl]methyl-[4-(dipropylamino)butyl]amino]propanoate
CID 59850572
methyl 3-[(2-chloro-4-fluorophenyl)methyl-(2-methoxyethyl)amino]propanoate
CID 78949288
methyl 3-[2-ethylbutyl(2-methoxyethyl)amino]propanoate
CID 82930234

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-ethylphenyl)methyl-(2-methoxyethyl)amino]propanoate?
The IUPAC name of methyl 3-[(4-ethylphenyl)methyl-(2-methoxyethyl)amino]propanoate (CID 78983733) is methyl 3-[(4-ethylphenyl)methyl-(2-methoxyethyl)amino]propanoate.
What is the SMILES notation for methyl 3-[(4-ethylphenyl)methyl-(2-methoxyethyl)amino]propanoate?
The canonical SMILES for methyl 3-[(4-ethylphenyl)methyl-(2-methoxyethyl)amino]propanoate is CCc1ccc(CN(CCOC)CCC(=O)OC)cc1.
What is the InChIKey of methyl 3-[(4-ethylphenyl)methyl-(2-methoxyethyl)amino]propanoate?
The InChIKey is QGTMQVGMJODYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-4-14-5-7-15(8-6-14)13-17(11-12-19-2)10-9-16(18)20-3/h5-8H,4,9-13H2,1-3H3.
What are the key properties of methyl 3-[(4-ethylphenyl)methyl-(2-methoxyethyl)amino]propanoate?
methyl 3-[(4-ethylphenyl)methyl-(2-methoxyethyl)amino]propanoate has a molecular weight of 279.38 g/mol, XLogP of 2.26, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-ethylphenyl)methyl-(2-methoxyethyl)amino]propanoate is sourced from PubChem (CID 78983733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).