N-[2-(4-methoxyphenoxy)ethyl]-N'-(2-propan-2-ylphenyl)propanediamide

C21H26N2O4 — CID 108951318

IUPACN-[2-(4-methoxyphenoxy)ethyl]-N'-(2-propan-2-ylphenyl)propanediamide
SMILESCOc1ccc(OCCNC(=O)CC(=O)Nc2ccccc2C(C)C)cc1
InChIInChI=1S/C21H26N2O4/c1-15(2)18-6-4-5-7-19(18)23-21(25)14-20(24)22-12-13-27-17-10-8-16(26-3)9-11-17/h4-11,15H,12-14H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyAXOPHTFCVPFOGU-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.34
Rot. Bonds9

About N-[2-(4-methoxyphenoxy)ethyl]-N'-(2-propan-2-ylphenyl)propanediamide

N-[2-(4-methoxyphenoxy)ethyl]-N'-(2-propan-2-ylphenyl)propanediamide (PubChem CID 108951318) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[2-(4-methoxyphenoxy)ethyl]-N'-(2-propan-2-ylphenyl)propanediamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenoxy)ethyl]-N'-(2-propan-2-ylphenyl)propanediamide
PubChem CID108951318
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC NameN-[2-(4-methoxyphenoxy)ethyl]-N'-(2-propan-2-ylphenyl)propanediamide
SMILESCOc1ccc(OCCNC(=O)CC(=O)Nc2ccccc2C(C)C)cc1
InChIInChI=1S/C21H26N2O4/c1-15(2)18-6-4-5-7-19(18)23-21(25)14-20(24)22-12-13-27-17-10-8-16(26-3)9-11-17/h4-11,15H,12-14H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyAXOPHTFCVPFOGU-UHFFFAOYSA-N
XLogP3.34
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-[2-oxo-2-(2-propan-2-ylanilino)ethyl]benzamide
CID 46755792
2-(N-acetyl-2-propan-2-ylanilino)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 113169641
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(2-propan-2-ylphenyl)propanediamide
CID 108949731
methyl 3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropanoate
CID 84578757
2-(4-methoxyphenoxy)-N-(2-phenoxyethyl)acetamide
CID 2265793
2-phenoxy-N-(2-propan-2-ylphenyl)acetamide
CID 723304
N-[2-(4-methoxyphenoxy)ethyl]-2-phenoxyacetamide
CID 17468348
N'-(3,5-dichlorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]propanediamide
CID 108951370
N-[2-(4-methoxyphenoxy)ethyl]-2-(3-methylbutylamino)acetamide
CID 109005309
2-(4-fluorophenoxy)-N-(2-propan-2-ylphenyl)acetamide
CID 7768669
3-acetamido-3-(4-methoxyphenyl)-N-(2-propan-2-ylphenyl)propanamide
CID 17436814
N-(2-propan-2-ylphenyl)-4-propoxybenzamide
CID 6463952

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-N'-(2-propan-2-ylphenyl)propanediamide?
The IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-N'-(2-propan-2-ylphenyl)propanediamide (CID 108951318) is N-[2-(4-methoxyphenoxy)ethyl]-N'-(2-propan-2-ylphenyl)propanediamide.
What is the SMILES notation for N-[2-(4-methoxyphenoxy)ethyl]-N'-(2-propan-2-ylphenyl)propanediamide?
The canonical SMILES for N-[2-(4-methoxyphenoxy)ethyl]-N'-(2-propan-2-ylphenyl)propanediamide is COc1ccc(OCCNC(=O)CC(=O)Nc2ccccc2C(C)C)cc1.
What is the InChIKey of N-[2-(4-methoxyphenoxy)ethyl]-N'-(2-propan-2-ylphenyl)propanediamide?
The InChIKey is AXOPHTFCVPFOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-15(2)18-6-4-5-7-19(18)23-21(25)14-20(24)22-12-13-27-17-10-8-16(26-3)9-11-17/h4-11,15H,12-14H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N-[2-(4-methoxyphenoxy)ethyl]-N'-(2-propan-2-ylphenyl)propanediamide?
N-[2-(4-methoxyphenoxy)ethyl]-N'-(2-propan-2-ylphenyl)propanediamide has a molecular weight of 370.45 g/mol, XLogP of 3.34, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenoxy)ethyl]-N'-(2-propan-2-ylphenyl)propanediamide is sourced from PubChem (CID 108951318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).