N-[2-(2-methoxyphenoxy)ethyl]-4-propan-2-yloxybenzamide

C19H23NO4 — CID 51545646

IUPACN-[2-(2-methoxyphenoxy)ethyl]-4-propan-2-yloxybenzamide
SMILESCOc1ccccc1OCCNC(=O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C19H23NO4/c1-14(2)24-16-10-8-15(9-11-16)19(21)20-12-13-23-18-7-5-4-6-17(18)22-3/h4-11,14H,12-13H2,1-3H3,(H,20,21)
InChIKeyCQIXUGPMWKOURC-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.29
Rot. Bonds8

About N-[2-(2-methoxyphenoxy)ethyl]-4-propan-2-yloxybenzamide

N-[2-(2-methoxyphenoxy)ethyl]-4-propan-2-yloxybenzamide (PubChem CID 51545646) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[2-(2-methoxyphenoxy)ethyl]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenoxy)ethyl]-4-propan-2-yloxybenzamide
PubChem CID51545646
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC NameN-[2-(2-methoxyphenoxy)ethyl]-4-propan-2-yloxybenzamide
SMILESCOc1ccccc1OCCNC(=O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C19H23NO4/c1-14(2)24-16-10-8-15(9-11-16)19(21)20-12-13-23-18-7-5-4-6-17(18)22-3/h4-11,14H,12-13H2,1-3H3,(H,20,21)
InChIKeyCQIXUGPMWKOURC-UHFFFAOYSA-N
XLogP3.29
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-(2-methoxyphenoxy)ethyl]-4-propan-2-yloxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenoxy)ethyl]-4-propan-2-yloxybenzamide?
The IUPAC name of N-[2-(2-methoxyphenoxy)ethyl]-4-propan-2-yloxybenzamide (CID 51545646) is N-[2-(2-methoxyphenoxy)ethyl]-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-[2-(2-methoxyphenoxy)ethyl]-4-propan-2-yloxybenzamide?
The canonical SMILES for N-[2-(2-methoxyphenoxy)ethyl]-4-propan-2-yloxybenzamide is COc1ccccc1OCCNC(=O)c1ccc(OC(C)C)cc1.
What is the InChIKey of N-[2-(2-methoxyphenoxy)ethyl]-4-propan-2-yloxybenzamide?
The InChIKey is CQIXUGPMWKOURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c1-14(2)24-16-10-8-15(9-11-16)19(21)20-12-13-23-18-7-5-4-6-17(18)22-3/h4-11,14H,12-13H2,1-3H3,(H,20,21).
What are the key properties of N-[2-(2-methoxyphenoxy)ethyl]-4-propan-2-yloxybenzamide?
N-[2-(2-methoxyphenoxy)ethyl]-4-propan-2-yloxybenzamide has a molecular weight of 329.40 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenoxy)ethyl]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 51545646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).