ethyl 2-[4-(2-methylphenoxy)butanoylamino]propanoate

C16H23NO4 — CID 61343880

IUPACethyl 2-[4-(2-methylphenoxy)butanoylamino]propanoate
SMILESCCOC(=O)C(C)NC(=O)CCCOc1ccccc1C
InChIInChI=1S/C16H23NO4/c1-4-20-16(19)13(3)17-15(18)10-7-11-21-14-9-6-5-8-12(14)2/h5-6,8-9,13H,4,7,10-11H2,1-3H3,(H,17,18)
InChIKeyMLQFARGIZBJPMF-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.22
Rot. Bonds8

About ethyl 2-[4-(2-methylphenoxy)butanoylamino]propanoate

ethyl 2-[4-(2-methylphenoxy)butanoylamino]propanoate (PubChem CID 61343880) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is ethyl 2-[4-(2-methylphenoxy)butanoylamino]propanoate.

Molecular Properties

Compound Nameethyl 2-[4-(2-methylphenoxy)butanoylamino]propanoate
PubChem CID61343880
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Nameethyl 2-[4-(2-methylphenoxy)butanoylamino]propanoate
SMILESCCOC(=O)C(C)NC(=O)CCCOc1ccccc1C
InChIInChI=1S/C16H23NO4/c1-4-20-16(19)13(3)17-15(18)10-7-11-21-14-9-6-5-8-12(14)2/h5-6,8-9,13H,4,7,10-11H2,1-3H3,(H,17,18)
InChIKeyMLQFARGIZBJPMF-UHFFFAOYSA-N
XLogP2.22
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[3-(2-methylphenoxy)propanoylamino]propanoate
CID 60638161
(2R)-2-[4-(2-methylphenoxy)butanoylamino]pentanoic acid
CID 107563152
(2S)-3-methyl-2-[4-(2-methylphenoxy)butanoylamino]butanoic acid
CID 61137299
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4-(2-methylphenoxy)butanamide
CID 103798851
N-(2-amino-1-cyclopropylethyl)-4-(2-methylphenoxy)butanamide
CID 119617616
N-[(2S)-1-aminopropan-2-yl]-4-(2-ethoxyphenoxy)butanamide
CID 120507806
N-[(2R)-1-hydroxypropan-2-yl]-3-(2-methylphenoxy)propanamide
CID 79027770
N-ethoxy-3-(2-methylphenoxy)propanamide
CID 60717709
4-(2-methylphenoxy)-N-(2-methylphenyl)butanamide
CID 19173284
(2S)-N-(2-hydroxyethyl)-4-methyl-2-[4-(2-methylphenoxy)butanoylamino]pentanamide
CID 86779814
N-[(2S)-1-hydroxybutan-2-yl]-3-(2-methylphenoxy)propanamide
CID 104981198
3-[3-(2-methylphenoxy)propanoylamino]butanoic acid
CID 43240704

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(2-methylphenoxy)butanoylamino]propanoate?
The IUPAC name of ethyl 2-[4-(2-methylphenoxy)butanoylamino]propanoate (CID 61343880) is ethyl 2-[4-(2-methylphenoxy)butanoylamino]propanoate.
What is the SMILES notation for ethyl 2-[4-(2-methylphenoxy)butanoylamino]propanoate?
The canonical SMILES for ethyl 2-[4-(2-methylphenoxy)butanoylamino]propanoate is CCOC(=O)C(C)NC(=O)CCCOc1ccccc1C.
What is the InChIKey of ethyl 2-[4-(2-methylphenoxy)butanoylamino]propanoate?
The InChIKey is MLQFARGIZBJPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-4-20-16(19)13(3)17-15(18)10-7-11-21-14-9-6-5-8-12(14)2/h5-6,8-9,13H,4,7,10-11H2,1-3H3,(H,17,18).
What are the key properties of ethyl 2-[4-(2-methylphenoxy)butanoylamino]propanoate?
ethyl 2-[4-(2-methylphenoxy)butanoylamino]propanoate has a molecular weight of 293.36 g/mol, XLogP of 2.22, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(2-methylphenoxy)butanoylamino]propanoate is sourced from PubChem (CID 61343880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).