N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide

C20H30N2O4 — CID 120887943

IUPACN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
SMILESC=CCc1ccc(OCC(=O)NCC2(COC)CCNCC2)c(OC)c1
InChIInChI=1S/C20H30N2O4/c1-4-5-16-6-7-17(18(12-16)25-3)26-13-19(23)22-14-20(15-24-2)8-10-21-11-9-20/h4,6-7,12,21H,1,5,8-11,13-15H2,2-3H3,(H,22,23)
InChIKeyUCRVWWDXUKOMIK-UHFFFAOYSA-N
MW362.47 g/mol
LogP1.93
Rot. Bonds10

About N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide (PubChem CID 120887943) has the molecular formula C20H30N2O4 and a molecular weight of 362.47 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
PubChem CID120887943
Molecular FormulaC20H30N2O4
Molecular Weight362.47 g/mol
Exact Mass362.22
IUPAC NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
SMILESC=CCc1ccc(OCC(=O)NCC2(COC)CCNCC2)c(OC)c1
InChIInChI=1S/C20H30N2O4/c1-4-5-16-6-7-17(18(12-16)25-3)26-13-19(23)22-14-20(15-24-2)8-10-21-11-9-20/h4,6-7,12,21H,1,5,8-11,13-15H2,2-3H3,(H,22,23)
InChIKeyUCRVWWDXUKOMIK-UHFFFAOYSA-N
XLogP1.93
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxy-4-prop-2-enylphenoxy)acetohydrazide
CID 764178
N-butyl-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 78767935
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-prop-2-enoxyacetamide
CID 120891445
2-(2,6-dimethylphenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120889634
2-(4-hydroxyphenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide
CID 120890491
N-cyclohexyl-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 18083381
N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 33105392
2-(2-methoxy-4-prop-2-enylphenoxy)-N-[(6-methoxy-3-pyridinyl)methyl]acetamide
CID 51305991
3-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-(2-methylpropoxy)benzamide;hydrochloride
CID 120890902
2-(2,5-dimethoxyphenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120891146
2-(5-chloro-2-methoxyphenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120891160
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 112792859

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide?
The IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide (CID 120887943) is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide.
What is the SMILES notation for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide?
The canonical SMILES for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide is C=CCc1ccc(OCC(=O)NCC2(COC)CCNCC2)c(OC)c1.
What is the InChIKey of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide?
The InChIKey is UCRVWWDXUKOMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O4/c1-4-5-16-6-7-17(18(12-16)25-3)26-13-19(23)22-14-20(15-24-2)8-10-21-11-9-20/h4,6-7,12,21H,1,5,8-11,13-15H2,2-3H3,(H,22,23).
What are the key properties of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide?
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide has a molecular weight of 362.47 g/mol, XLogP of 1.93, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide is sourced from PubChem (CID 120887943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).