ethyl 3-[1-(4-methylphenoxy)propan-2-ylamino]propanoate

C15H23NO3 — CID 61168707

IUPACethyl 3-[1-(4-methylphenoxy)propan-2-ylamino]propanoate
SMILESCCOC(=O)CCNC(C)COc1ccc(C)cc1
InChIInChI=1S/C15H23NO3/c1-4-18-15(17)9-10-16-13(3)11-19-14-7-5-12(2)6-8-14/h5-8,13,16H,4,9-11H2,1-3H3
InChIKeyMKNQCMWANJVHGG-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.31
Rot. Bonds8

About ethyl 3-[1-(4-methylphenoxy)propan-2-ylamino]propanoate

ethyl 3-[1-(4-methylphenoxy)propan-2-ylamino]propanoate (PubChem CID 61168707) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is ethyl 3-[1-(4-methylphenoxy)propan-2-ylamino]propanoate.

Molecular Properties

Compound Nameethyl 3-[1-(4-methylphenoxy)propan-2-ylamino]propanoate
PubChem CID61168707
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Nameethyl 3-[1-(4-methylphenoxy)propan-2-ylamino]propanoate
SMILESCCOC(=O)CCNC(C)COc1ccc(C)cc1
InChIInChI=1S/C15H23NO3/c1-4-18-15(17)9-10-16-13(3)11-19-14-7-5-12(2)6-8-14/h5-8,13,16H,4,9-11H2,1-3H3
InChIKeyMKNQCMWANJVHGG-UHFFFAOYSA-N
XLogP2.31
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(4-methylphenoxy)propan-2-ylamino]ethanol
CID 61166956
N-(2-ethylsulfonylethyl)-1-(4-methylphenoxy)propan-2-amine
CID 61168340
3-[[1-(4-methylphenoxy)propan-2-ylamino]methyl]pentan-3-ol
CID 114492877
2,2-dimethyl-3-[1-(4-methylphenoxy)propan-2-ylamino]propanoic acid
CID 79623844
ethyl (3S)-3-hydroxy-4-(4-methylphenoxy)butanoate
CID 129404710
ethyl 3-[[(2R)-1-phenylmethoxypropan-2-yl]amino]propanoate
CID 175699812
6-[1-(4-methylphenoxy)propan-2-ylamino]hexan-1-ol
CID 107703257
2-[1-(4-methylphenoxy)propan-2-ylamino]-N-pentan-3-ylacetamide
CID 61486833
2-[[1-(4-methylphenoxy)propan-2-ylamino]methyl]prop-2-enoic acid
CID 103242898
2-amino-N-[1-(4-methylphenoxy)propan-2-yl]butanamide
CID 61171488
N-(3-methylbutan-2-yl)-2-[1-(4-methylphenoxy)propan-2-ylamino]acetamide
CID 61489179
N',N'-dimethyl-N-[1-(4-methylphenoxy)propan-2-yl]propane-1,3-diamine
CID 114525099

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[1-(4-methylphenoxy)propan-2-ylamino]propanoate?
The IUPAC name of ethyl 3-[1-(4-methylphenoxy)propan-2-ylamino]propanoate (CID 61168707) is ethyl 3-[1-(4-methylphenoxy)propan-2-ylamino]propanoate.
What is the SMILES notation for ethyl 3-[1-(4-methylphenoxy)propan-2-ylamino]propanoate?
The canonical SMILES for ethyl 3-[1-(4-methylphenoxy)propan-2-ylamino]propanoate is CCOC(=O)CCNC(C)COc1ccc(C)cc1.
What is the InChIKey of ethyl 3-[1-(4-methylphenoxy)propan-2-ylamino]propanoate?
The InChIKey is MKNQCMWANJVHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-4-18-15(17)9-10-16-13(3)11-19-14-7-5-12(2)6-8-14/h5-8,13,16H,4,9-11H2,1-3H3.
What are the key properties of ethyl 3-[1-(4-methylphenoxy)propan-2-ylamino]propanoate?
ethyl 3-[1-(4-methylphenoxy)propan-2-ylamino]propanoate has a molecular weight of 265.35 g/mol, XLogP of 2.31, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[1-(4-methylphenoxy)propan-2-ylamino]propanoate is sourced from PubChem (CID 61168707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).