N-[2-(4-methoxyphenoxy)ethyl]-2-(4-pyrrol-1-yloxan-4-yl)acetamide

C20H26N2O4 — CID 121240260

IUPACN-[2-(4-methoxyphenoxy)ethyl]-2-(4-pyrrol-1-yloxan-4-yl)acetamide
SMILESCOc1ccc(OCCNC(=O)CC2(n3cccc3)CCOCC2)cc1
InChIInChI=1S/C20H26N2O4/c1-24-17-4-6-18(7-5-17)26-15-10-21-19(23)16-20(8-13-25-14-9-20)22-11-2-3-12-22/h2-7,11-12H,8-10,13-16H2,1H3,(H,21,23)
InChIKeyXLOKNHOZMVPKHG-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.59
Rot. Bonds8

About N-[2-(4-methoxyphenoxy)ethyl]-2-(4-pyrrol-1-yloxan-4-yl)acetamide

N-[2-(4-methoxyphenoxy)ethyl]-2-(4-pyrrol-1-yloxan-4-yl)acetamide (PubChem CID 121240260) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-[2-(4-methoxyphenoxy)ethyl]-2-(4-pyrrol-1-yloxan-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenoxy)ethyl]-2-(4-pyrrol-1-yloxan-4-yl)acetamide
PubChem CID121240260
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC NameN-[2-(4-methoxyphenoxy)ethyl]-2-(4-pyrrol-1-yloxan-4-yl)acetamide
SMILESCOc1ccc(OCCNC(=O)CC2(n3cccc3)CCOCC2)cc1
InChIInChI=1S/C20H26N2O4/c1-24-17-4-6-18(7-5-17)26-15-10-21-19(23)16-20(8-13-25-14-9-20)22-11-2-3-12-22/h2-7,11-12H,8-10,13-16H2,1H3,(H,21,23)
InChIKeyXLOKNHOZMVPKHG-UHFFFAOYSA-N
XLogP2.59
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.59
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

3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(4-methoxyphenoxy)ethyl]-3-oxopropanamide
CID 108949993
N-[2-(4-methoxyphenoxy)ethyl]-3-morpholin-4-ylsulfonylpropanamide
CID 110296118
methyl 3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropanoate
CID 84578757
2-(4-methoxyphenoxy)-N-(2-phenoxyethyl)acetamide
CID 2265793
N-[2-(4-methoxyphenoxy)ethyl]-2-phenoxyacetamide
CID 17468348
1-[2-(4-methoxyphenoxy)ethyl]-3-(oxan-4-ylidenemethyl)urea
CID 108913312
4-[[4-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethoxy]phenyl]sulfanyl-methylphosphoryl]oxane-4-carboxamide
CID 142185869
N-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethyl-3-morpholin-4-yl-3-oxopropanamide
CID 108959866
N-[4-(hydroxymethyl)oxan-4-yl]-2-(4-methoxyphenoxy)acetamide
CID 104630643
1-ethyl-3-[2-(4-methoxyphenoxy)ethyl]-2-[(4-pyrrolidin-1-yloxan-4-yl)methyl]guanidine;hydroiodide
CID 111840340
2-indol-1-yl-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 110702432
2-(furan-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 110690655

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-2-(4-pyrrol-1-yloxan-4-yl)acetamide?
The IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-2-(4-pyrrol-1-yloxan-4-yl)acetamide (CID 121240260) is N-[2-(4-methoxyphenoxy)ethyl]-2-(4-pyrrol-1-yloxan-4-yl)acetamide.
What is the SMILES notation for N-[2-(4-methoxyphenoxy)ethyl]-2-(4-pyrrol-1-yloxan-4-yl)acetamide?
The canonical SMILES for N-[2-(4-methoxyphenoxy)ethyl]-2-(4-pyrrol-1-yloxan-4-yl)acetamide is COc1ccc(OCCNC(=O)CC2(n3cccc3)CCOCC2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenoxy)ethyl]-2-(4-pyrrol-1-yloxan-4-yl)acetamide?
The InChIKey is XLOKNHOZMVPKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-24-17-4-6-18(7-5-17)26-15-10-21-19(23)16-20(8-13-25-14-9-20)22-11-2-3-12-22/h2-7,11-12H,8-10,13-16H2,1H3,(H,21,23).
What are the key properties of N-[2-(4-methoxyphenoxy)ethyl]-2-(4-pyrrol-1-yloxan-4-yl)acetamide?
N-[2-(4-methoxyphenoxy)ethyl]-2-(4-pyrrol-1-yloxan-4-yl)acetamide has a molecular weight of 358.44 g/mol, XLogP of 2.59, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenoxy)ethyl]-2-(4-pyrrol-1-yloxan-4-yl)acetamide is sourced from PubChem (CID 121240260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).