methyl 2-[ethyl-[2-(4-methoxyphenoxy)propanoyl]amino]acetate

C15H21NO5 — CID 61383641

IUPACmethyl 2-[ethyl-[2-(4-methoxyphenoxy)propanoyl]amino]acetate
SMILESCCN(CC(=O)OC)C(=O)C(C)Oc1ccc(OC)cc1
InChIInChI=1S/C15H21NO5/c1-5-16(10-14(17)20-4)15(18)11(2)21-13-8-6-12(19-3)7-9-13/h6-9,11H,5,10H2,1-4H3
InChIKeyAPKHLOQJPLCAOI-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.48
Rot. Bonds7

About methyl 2-[ethyl-[2-(4-methoxyphenoxy)propanoyl]amino]acetate

methyl 2-[ethyl-[2-(4-methoxyphenoxy)propanoyl]amino]acetate (PubChem CID 61383641) has the molecular formula C15H21NO5 and a molecular weight of 295.34 g/mol. Its IUPAC name is methyl 2-[ethyl-[2-(4-methoxyphenoxy)propanoyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[ethyl-[2-(4-methoxyphenoxy)propanoyl]amino]acetate
PubChem CID61383641
Molecular FormulaC15H21NO5
Molecular Weight295.34 g/mol
Exact Mass295.14
IUPAC Namemethyl 2-[ethyl-[2-(4-methoxyphenoxy)propanoyl]amino]acetate
SMILESCCN(CC(=O)OC)C(=O)C(C)Oc1ccc(OC)cc1
InChIInChI=1S/C15H21NO5/c1-5-16(10-14(17)20-4)15(18)11(2)21-13-8-6-12(19-3)7-9-13/h6-9,11H,5,10H2,1-4H3
InChIKeyAPKHLOQJPLCAOI-UHFFFAOYSA-N
XLogP1.48
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[[(2R)-2-(4-methoxyphenoxy)propanoyl]-propylamino]acetate
CID 97027871
ethyl 2-[2-(4-bromophenoxy)propanoyl-ethylamino]acetate
CID 61012258
N,N-diethyl-2-(3-methoxyphenoxy)propanamide
CID 19203980
2-(4-tert-butylphenoxy)-N,N-diethylpropanamide
CID 19204171
2-[4-[(1S)-1-aminoethyl]phenoxy]-N,N-diethylpropanamide
CID 63367483
N-(1-aminopropan-2-yl)-2-(4-methoxyphenoxy)-N-methylpropanamide
CID 119584481
N,N-diethyl-2-[4-[1-(ethylamino)ethyl]phenoxy]propanamide
CID 43279277
2-[benzyl-[2-(4-methoxyphenoxy)propanoyl]amino]acetic acid
CID 119196968
2-(4-cyanophenoxy)-N,N-diethylpropanamide
CID 43083146
methyl 2-[2-(4-bromophenoxy)propanoyl-propan-2-ylamino]acetate
CID 60765971
N,N-diethyl-2-(4-methoxyanilino)propanamide
CID 43112882
N,N-diethyl-2-(7-hydroxynaphthalen-2-yl)oxypropanamide
CID 43143630

Frequently Asked Questions

What is the IUPAC name of methyl 2-[ethyl-[2-(4-methoxyphenoxy)propanoyl]amino]acetate?
The IUPAC name of methyl 2-[ethyl-[2-(4-methoxyphenoxy)propanoyl]amino]acetate (CID 61383641) is methyl 2-[ethyl-[2-(4-methoxyphenoxy)propanoyl]amino]acetate.
What is the SMILES notation for methyl 2-[ethyl-[2-(4-methoxyphenoxy)propanoyl]amino]acetate?
The canonical SMILES for methyl 2-[ethyl-[2-(4-methoxyphenoxy)propanoyl]amino]acetate is CCN(CC(=O)OC)C(=O)C(C)Oc1ccc(OC)cc1.
What is the InChIKey of methyl 2-[ethyl-[2-(4-methoxyphenoxy)propanoyl]amino]acetate?
The InChIKey is APKHLOQJPLCAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5/c1-5-16(10-14(17)20-4)15(18)11(2)21-13-8-6-12(19-3)7-9-13/h6-9,11H,5,10H2,1-4H3.
What are the key properties of methyl 2-[ethyl-[2-(4-methoxyphenoxy)propanoyl]amino]acetate?
methyl 2-[ethyl-[2-(4-methoxyphenoxy)propanoyl]amino]acetate has a molecular weight of 295.34 g/mol, XLogP of 1.48, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[ethyl-[2-(4-methoxyphenoxy)propanoyl]amino]acetate is sourced from PubChem (CID 61383641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).