N-(2-methoxyethoxy)-2-(4-methoxyphenoxy)propanamide

C13H19NO5 — CID 79676608

IUPACN-(2-methoxyethoxy)-2-(4-methoxyphenoxy)propanamide
SMILESCOCCONC(=O)C(C)Oc1ccc(OC)cc1
InChIInChI=1S/C13H19NO5/c1-10(13(15)14-18-9-8-16-2)19-12-6-4-11(17-3)5-7-12/h4-7,10H,8-9H2,1-3H3,(H,14,15)
InChIKeyTVULXRMIXDYSGA-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.16
Rot. Bonds8

About N-(2-methoxyethoxy)-2-(4-methoxyphenoxy)propanamide

N-(2-methoxyethoxy)-2-(4-methoxyphenoxy)propanamide (PubChem CID 79676608) has the molecular formula C13H19NO5 and a molecular weight of 269.30 g/mol. Its IUPAC name is N-(2-methoxyethoxy)-2-(4-methoxyphenoxy)propanamide.

Molecular Properties

Compound NameN-(2-methoxyethoxy)-2-(4-methoxyphenoxy)propanamide
PubChem CID79676608
Molecular FormulaC13H19NO5
Molecular Weight269.30 g/mol
Exact Mass269.13
IUPAC NameN-(2-methoxyethoxy)-2-(4-methoxyphenoxy)propanamide
SMILESCOCCONC(=O)C(C)Oc1ccc(OC)cc1
InChIInChI=1S/C13H19NO5/c1-10(13(15)14-18-9-8-16-2)19-12-6-4-11(17-3)5-7-12/h4-7,10H,8-9H2,1-3H3,(H,14,15)
InChIKeyTVULXRMIXDYSGA-UHFFFAOYSA-N
XLogP1.16
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethoxy)-2-(4-methoxyphenoxy)propanamide?
The IUPAC name of N-(2-methoxyethoxy)-2-(4-methoxyphenoxy)propanamide (CID 79676608) is N-(2-methoxyethoxy)-2-(4-methoxyphenoxy)propanamide.
What is the SMILES notation for N-(2-methoxyethoxy)-2-(4-methoxyphenoxy)propanamide?
The canonical SMILES for N-(2-methoxyethoxy)-2-(4-methoxyphenoxy)propanamide is COCCONC(=O)C(C)Oc1ccc(OC)cc1.
What is the InChIKey of N-(2-methoxyethoxy)-2-(4-methoxyphenoxy)propanamide?
The InChIKey is TVULXRMIXDYSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO5/c1-10(13(15)14-18-9-8-16-2)19-12-6-4-11(17-3)5-7-12/h4-7,10H,8-9H2,1-3H3,(H,14,15).
What are the key properties of N-(2-methoxyethoxy)-2-(4-methoxyphenoxy)propanamide?
N-(2-methoxyethoxy)-2-(4-methoxyphenoxy)propanamide has a molecular weight of 269.30 g/mol, XLogP of 1.16, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethoxy)-2-(4-methoxyphenoxy)propanamide is sourced from PubChem (CID 79676608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).