ethyl 2-[[(2R)-2-(4-methoxyphenoxy)propanoyl]-propylamino]acetate

C17H25NO5 — CID 97027871

IUPACethyl 2-[[(2R)-2-(4-methoxyphenoxy)propanoyl]-propylamino]acetate
SMILESCCCN(CC(=O)OCC)C(=O)[C@@H](C)Oc1ccc(OC)cc1
InChIInChI=1S/C17H25NO5/c1-5-11-18(12-16(19)22-6-2)17(20)13(3)23-15-9-7-14(21-4)8-10-15/h7-10,13H,5-6,11-12H2,1-4H3/t13-/m1/s1
InChIKeyLJYFVXYHAWUTBW-CYBMUJFWSA-N
MW323.39 g/mol
LogP2.26
Rot. Bonds9

About ethyl 2-[[(2R)-2-(4-methoxyphenoxy)propanoyl]-propylamino]acetate

ethyl 2-[[(2R)-2-(4-methoxyphenoxy)propanoyl]-propylamino]acetate (PubChem CID 97027871) has the molecular formula C17H25NO5 and a molecular weight of 323.39 g/mol. Its IUPAC name is ethyl 2-[[(2R)-2-(4-methoxyphenoxy)propanoyl]-propylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[[(2R)-2-(4-methoxyphenoxy)propanoyl]-propylamino]acetate
PubChem CID97027871
Molecular FormulaC17H25NO5
Molecular Weight323.39 g/mol
Exact Mass323.17
IUPAC Nameethyl 2-[[(2R)-2-(4-methoxyphenoxy)propanoyl]-propylamino]acetate
SMILESCCCN(CC(=O)OCC)C(=O)[C@@H](C)Oc1ccc(OC)cc1
InChIInChI=1S/C17H25NO5/c1-5-11-18(12-16(19)22-6-2)17(20)13(3)23-15-9-7-14(21-4)8-10-15/h7-10,13H,5-6,11-12H2,1-4H3/t13-/m1/s1
InChIKeyLJYFVXYHAWUTBW-CYBMUJFWSA-N
XLogP2.26
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[2-(3-fluorophenoxy)propanoyl-propylamino]acetate
CID 78902033
methyl 2-[ethyl-[2-(4-methoxyphenoxy)propanoyl]amino]acetate
CID 61383641
ethyl 2-[2-(4-bromophenoxy)propanoyl-ethylamino]acetate
CID 61012258
ethyl (2S)-2-(4-methoxyphenoxy)propanoate
CID 94606551
N-(1-aminopropan-2-yl)-2-(4-methoxyphenoxy)-N-methylpropanamide
CID 119584481
ethyl 2-[2-(4-methoxyphenoxy)propanoylamino]acetate
CID 47257620
4-[(2-ethoxy-2-oxoethyl)-propylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103498133
2-(4-fluorophenoxy)-N-(2-hydroxyethyl)-N-propylpropanamide
CID 60656705
diethyl 2-methylpropanedioate;1,4-dimethoxybenzene
CID 174542706
ethyl 2-[2-phenylbutanoyl(propyl)amino]acetate
CID 61008627
2-[benzyl-[2-(4-methoxyphenoxy)propanoyl]amino]acetic acid
CID 119196968
2-(4-methoxyphenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119532521

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(2R)-2-(4-methoxyphenoxy)propanoyl]-propylamino]acetate?
The IUPAC name of ethyl 2-[[(2R)-2-(4-methoxyphenoxy)propanoyl]-propylamino]acetate (CID 97027871) is ethyl 2-[[(2R)-2-(4-methoxyphenoxy)propanoyl]-propylamino]acetate.
What is the SMILES notation for ethyl 2-[[(2R)-2-(4-methoxyphenoxy)propanoyl]-propylamino]acetate?
The canonical SMILES for ethyl 2-[[(2R)-2-(4-methoxyphenoxy)propanoyl]-propylamino]acetate is CCCN(CC(=O)OCC)C(=O)[C@@H](C)Oc1ccc(OC)cc1.
What is the InChIKey of ethyl 2-[[(2R)-2-(4-methoxyphenoxy)propanoyl]-propylamino]acetate?
The InChIKey is LJYFVXYHAWUTBW-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H25NO5/c1-5-11-18(12-16(19)22-6-2)17(20)13(3)23-15-9-7-14(21-4)8-10-15/h7-10,13H,5-6,11-12H2,1-4H3/t13-/m1/s1.
What are the key properties of ethyl 2-[[(2R)-2-(4-methoxyphenoxy)propanoyl]-propylamino]acetate?
ethyl 2-[[(2R)-2-(4-methoxyphenoxy)propanoyl]-propylamino]acetate has a molecular weight of 323.39 g/mol, XLogP of 2.26, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(2R)-2-(4-methoxyphenoxy)propanoyl]-propylamino]acetate is sourced from PubChem (CID 97027871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).