4-[[2-[(3-methoxyphenyl)methoxy]propanoylamino]methyl]oxane-4-carboxylic acid

C18H25NO6 — CID 120541639

IUPAC4-[[2-[(3-methoxyphenyl)methoxy]propanoylamino]methyl]oxane-4-carboxylic acid
SMILESCOc1cccc(COC(C)C(=O)NCC2(C(=O)O)CCOCC2)c1
InChIInChI=1S/C18H25NO6/c1-13(25-11-14-4-3-5-15(10-14)23-2)16(20)19-12-18(17(21)22)6-8-24-9-7-18/h3-5,10,13H,6-9,11-12H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyWXMRJTFZQWITJV-UHFFFAOYSA-N
MW351.40 g/mol
LogP1.60
Rot. Bonds8

About 4-[[2-[(3-methoxyphenyl)methoxy]propanoylamino]methyl]oxane-4-carboxylic acid

4-[[2-[(3-methoxyphenyl)methoxy]propanoylamino]methyl]oxane-4-carboxylic acid (PubChem CID 120541639) has the molecular formula C18H25NO6 and a molecular weight of 351.40 g/mol. Its IUPAC name is 4-[[2-[(3-methoxyphenyl)methoxy]propanoylamino]methyl]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[[2-[(3-methoxyphenyl)methoxy]propanoylamino]methyl]oxane-4-carboxylic acid
PubChem CID120541639
Molecular FormulaC18H25NO6
Molecular Weight351.40 g/mol
Exact Mass351.17
IUPAC Name4-[[2-[(3-methoxyphenyl)methoxy]propanoylamino]methyl]oxane-4-carboxylic acid
SMILESCOc1cccc(COC(C)C(=O)NCC2(C(=O)O)CCOCC2)c1
InChIInChI=1S/C18H25NO6/c1-13(25-11-14-4-3-5-15(10-14)23-2)16(20)19-12-18(17(21)22)6-8-24-9-7-18/h3-5,10,13H,6-9,11-12H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyWXMRJTFZQWITJV-UHFFFAOYSA-N
XLogP1.60
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[2-[(3-methoxyphenyl)methoxy]propanoylamino]methyl]oxane-4-carboxylic acid with MolForge

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Related Compounds

4-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]oxane-4-carboxylic acid
CID 120541531
1-[[2-(4-methoxyphenoxy)propanoylamino]methyl]cyclopropane-1-carboxylic acid
CID 115449554
N-(3-aminobutyl)-2-[(3-methoxyphenyl)methoxy]propanamide;hydrochloride
CID 119497040
N-[(2-tert-butyloxolan-3-yl)methyl]-2-[(3-methoxyphenyl)methoxy]propanamide
CID 56791697
methyl 1-[2-[(3-methoxyphenyl)methoxy]propanoylamino]cyclohexane-1-carboxylate
CID 46450947
(2S)-2-[(3-methoxyphenyl)methoxy]-N-[(2-methoxy-3-pyridinyl)methyl]propanamide
CID 94024629
(2R)-N-[3-(ethylaminomethyl)phenyl]-2-[(3-methoxyphenyl)methoxy]propanamide
CID 124570178
4-[[2-(2-methyl-5-propan-2-ylphenoxy)propanoylamino]methyl]oxane-4-carboxylic acid
CID 120542344
(2S)-2-[2-[(3-methoxyphenyl)methoxy]propanoylamino]-4-methylpentanoic acid
CID 119361787
4-[[[2-(2,5-dimethoxyphenyl)acetyl]amino]methyl]oxane-4-carboxylic acid
CID 120690089
(2S,3S)-2-[2-[(3-methoxyphenyl)methoxy]propanoylamino]-3-methylpentanoic acid
CID 119193748
(2R)-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-[(3-methoxyphenyl)methoxy]propanamide
CID 95335268

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(3-methoxyphenyl)methoxy]propanoylamino]methyl]oxane-4-carboxylic acid?
The IUPAC name of 4-[[2-[(3-methoxyphenyl)methoxy]propanoylamino]methyl]oxane-4-carboxylic acid (CID 120541639) is 4-[[2-[(3-methoxyphenyl)methoxy]propanoylamino]methyl]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[[2-[(3-methoxyphenyl)methoxy]propanoylamino]methyl]oxane-4-carboxylic acid?
The canonical SMILES for 4-[[2-[(3-methoxyphenyl)methoxy]propanoylamino]methyl]oxane-4-carboxylic acid is COc1cccc(COC(C)C(=O)NCC2(C(=O)O)CCOCC2)c1.
What is the InChIKey of 4-[[2-[(3-methoxyphenyl)methoxy]propanoylamino]methyl]oxane-4-carboxylic acid?
The InChIKey is WXMRJTFZQWITJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO6/c1-13(25-11-14-4-3-5-15(10-14)23-2)16(20)19-12-18(17(21)22)6-8-24-9-7-18/h3-5,10,13H,6-9,11-12H2,1-2H3,(H,19,20)(H,21,22).
What are the key properties of 4-[[2-[(3-methoxyphenyl)methoxy]propanoylamino]methyl]oxane-4-carboxylic acid?
4-[[2-[(3-methoxyphenyl)methoxy]propanoylamino]methyl]oxane-4-carboxylic acid has a molecular weight of 351.40 g/mol, XLogP of 1.60, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(3-methoxyphenyl)methoxy]propanoylamino]methyl]oxane-4-carboxylic acid is sourced from PubChem (CID 120541639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).