methyl 6-[2-(4-methoxyphenoxy)propanoylamino]hexanoate

C17H25NO5 — CID 46481594

IUPACmethyl 6-[2-(4-methoxyphenoxy)propanoylamino]hexanoate
SMILESCOC(=O)CCCCCNC(=O)C(C)Oc1ccc(OC)cc1
InChIInChI=1S/C17H25NO5/c1-13(23-15-10-8-14(21-2)9-11-15)17(20)18-12-6-4-5-7-16(19)22-3/h8-11,13H,4-7,12H2,1-3H3,(H,18,20)
InChIKeyXNBPIVBXWKIVKB-UHFFFAOYSA-N
MW323.39 g/mol
LogP2.31
Rot. Bonds10

About methyl 6-[2-(4-methoxyphenoxy)propanoylamino]hexanoate

methyl 6-[2-(4-methoxyphenoxy)propanoylamino]hexanoate (PubChem CID 46481594) has the molecular formula C17H25NO5 and a molecular weight of 323.39 g/mol. Its IUPAC name is methyl 6-[2-(4-methoxyphenoxy)propanoylamino]hexanoate.

Molecular Properties

Compound Namemethyl 6-[2-(4-methoxyphenoxy)propanoylamino]hexanoate
PubChem CID46481594
Molecular FormulaC17H25NO5
Molecular Weight323.39 g/mol
Exact Mass323.17
IUPAC Namemethyl 6-[2-(4-methoxyphenoxy)propanoylamino]hexanoate
SMILESCOC(=O)CCCCCNC(=O)C(C)Oc1ccc(OC)cc1
InChIInChI=1S/C17H25NO5/c1-13(23-15-10-8-14(21-2)9-11-15)17(20)18-12-6-4-5-7-16(19)22-3/h8-11,13H,4-7,12H2,1-3H3,(H,18,20)
InChIKeyXNBPIVBXWKIVKB-UHFFFAOYSA-N
XLogP2.31
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-butyl-2-(4-methoxyphenoxy)propanamide
CID 42082748
3-[[(2R)-2-(4-methoxyphenoxy)propanoyl]amino]propanoic acid
CID 93306205
2-(4-methoxyphenoxy)-N-(3-methylbutyl)propanamide
CID 21173373
(2S)-2-phenoxy-N-[9-[[(2S)-2-phenoxypropanoyl]amino]nonyl]propanamide
CID 28839964
6-[2-(4-chlorophenoxy)propanoylamino]hexanoic acid
CID 43238400
ethyl 2-[2-(4-methoxyphenoxy)propanoylamino]acetate
CID 47257620
N-hexyl-2-(3-methoxyphenoxy)propanamide
CID 19203844
N-[3-(4-ethoxyphenyl)propyl]-2-(4-methoxyphenoxy)propanamide
CID 132653933
methyl 5-[(4-methoxyphenyl)methylcarbamoylamino]pentanoate
CID 60591566
2-(4-chlorophenoxy)-N-[3-[2-(4-chlorophenoxy)propanoylamino]propyl]propanamide
CID 4944309
N-[3-(3,4-dimethoxyphenyl)propyl]-2-(4-methoxyphenoxy)propanamide
CID 48586822
N-(6-hydroxyhexyl)-2-phenoxypropanamide
CID 103919352

Frequently Asked Questions

What is the IUPAC name of methyl 6-[2-(4-methoxyphenoxy)propanoylamino]hexanoate?
The IUPAC name of methyl 6-[2-(4-methoxyphenoxy)propanoylamino]hexanoate (CID 46481594) is methyl 6-[2-(4-methoxyphenoxy)propanoylamino]hexanoate.
What is the SMILES notation for methyl 6-[2-(4-methoxyphenoxy)propanoylamino]hexanoate?
The canonical SMILES for methyl 6-[2-(4-methoxyphenoxy)propanoylamino]hexanoate is COC(=O)CCCCCNC(=O)C(C)Oc1ccc(OC)cc1.
What is the InChIKey of methyl 6-[2-(4-methoxyphenoxy)propanoylamino]hexanoate?
The InChIKey is XNBPIVBXWKIVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO5/c1-13(23-15-10-8-14(21-2)9-11-15)17(20)18-12-6-4-5-7-16(19)22-3/h8-11,13H,4-7,12H2,1-3H3,(H,18,20).
What are the key properties of methyl 6-[2-(4-methoxyphenoxy)propanoylamino]hexanoate?
methyl 6-[2-(4-methoxyphenoxy)propanoylamino]hexanoate has a molecular weight of 323.39 g/mol, XLogP of 2.31, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[2-(4-methoxyphenoxy)propanoylamino]hexanoate is sourced from PubChem (CID 46481594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).