N'-(2,5-dimethoxyphenyl)-N-[2-(2-ethoxyphenyl)ethyl]propanediamide

C21H26N2O5 — CID 50981444

IUPACN'-(2,5-dimethoxyphenyl)-N-[2-(2-ethoxyphenyl)ethyl]propanediamide
SMILESCCOc1ccccc1CCNC(=O)CC(=O)Nc1cc(OC)ccc1OC
InChIInChI=1S/C21H26N2O5/c1-4-28-18-8-6-5-7-15(18)11-12-22-20(24)14-21(25)23-17-13-16(26-2)9-10-19(17)27-3/h5-10,13H,4,11-12,14H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyMFULKOUVGVOMQH-UHFFFAOYSA-N
MW386.45 g/mol
LogP2.79
Rot. Bonds10

About N'-(2,5-dimethoxyphenyl)-N-[2-(2-ethoxyphenyl)ethyl]propanediamide

N'-(2,5-dimethoxyphenyl)-N-[2-(2-ethoxyphenyl)ethyl]propanediamide (PubChem CID 50981444) has the molecular formula C21H26N2O5 and a molecular weight of 386.45 g/mol. Its IUPAC name is N'-(2,5-dimethoxyphenyl)-N-[2-(2-ethoxyphenyl)ethyl]propanediamide.

Molecular Properties

Compound NameN'-(2,5-dimethoxyphenyl)-N-[2-(2-ethoxyphenyl)ethyl]propanediamide
PubChem CID50981444
Molecular FormulaC21H26N2O5
Molecular Weight386.45 g/mol
Exact Mass386.18
IUPAC NameN'-(2,5-dimethoxyphenyl)-N-[2-(2-ethoxyphenyl)ethyl]propanediamide
SMILESCCOc1ccccc1CCNC(=O)CC(=O)Nc1cc(OC)ccc1OC
InChIInChI=1S/C21H26N2O5/c1-4-28-18-8-6-5-7-15(18)11-12-22-20(24)14-21(25)23-17-13-16(26-2)9-10-19(17)27-3/h5-10,13H,4,11-12,14H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyMFULKOUVGVOMQH-UHFFFAOYSA-N
XLogP2.79
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(2,5-dimethoxyphenyl)-N-propylpropanediamide
CID 108940714
N'-(2,5-dimethoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 44995669
N-(2,5-diethoxyphenyl)-3-(2-ethoxyphenyl)propanamide
CID 33002086
1-(3,5-dimethoxyphenyl)-3-[2-(2-ethoxyphenyl)ethyl]urea
CID 3502987
N'-(2,5-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]propanediamide
CID 108943905
3-(2-ethoxyphenyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]propanamide
CID 31590171
1-(2,5-dimethoxyphenyl)-3-[2-(2-methoxyphenoxy)ethyl]urea
CID 17171312
1-[2-(2,4-dimethoxyphenyl)ethyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 110408905
N-[3-(2-ethoxyphenyl)propyl]-2-(4-methoxyphenyl)acetamide
CID 92673607
ethyl 3-(2,5-dimethoxyanilino)-3-oxopropanoate
CID 12866654
1-[3-(2-ethoxyphenyl)propyl]-3-(2-methoxyphenyl)urea
CID 100747319
N-[3-(2,5-dimethoxyanilino)-3-oxopropyl]-2-methoxybenzamide
CID 28918895

Frequently Asked Questions

What is the IUPAC name of N'-(2,5-dimethoxyphenyl)-N-[2-(2-ethoxyphenyl)ethyl]propanediamide?
The IUPAC name of N'-(2,5-dimethoxyphenyl)-N-[2-(2-ethoxyphenyl)ethyl]propanediamide (CID 50981444) is N'-(2,5-dimethoxyphenyl)-N-[2-(2-ethoxyphenyl)ethyl]propanediamide.
What is the SMILES notation for N'-(2,5-dimethoxyphenyl)-N-[2-(2-ethoxyphenyl)ethyl]propanediamide?
The canonical SMILES for N'-(2,5-dimethoxyphenyl)-N-[2-(2-ethoxyphenyl)ethyl]propanediamide is CCOc1ccccc1CCNC(=O)CC(=O)Nc1cc(OC)ccc1OC.
What is the InChIKey of N'-(2,5-dimethoxyphenyl)-N-[2-(2-ethoxyphenyl)ethyl]propanediamide?
The InChIKey is MFULKOUVGVOMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5/c1-4-28-18-8-6-5-7-15(18)11-12-22-20(24)14-21(25)23-17-13-16(26-2)9-10-19(17)27-3/h5-10,13H,4,11-12,14H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N'-(2,5-dimethoxyphenyl)-N-[2-(2-ethoxyphenyl)ethyl]propanediamide?
N'-(2,5-dimethoxyphenyl)-N-[2-(2-ethoxyphenyl)ethyl]propanediamide has a molecular weight of 386.45 g/mol, XLogP of 2.79, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,5-dimethoxyphenyl)-N-[2-(2-ethoxyphenyl)ethyl]propanediamide is sourced from PubChem (CID 50981444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).