N-(2,5-dimethoxyphenyl)-2,2-dimethyl-N'-(2-phenylethyl)propanediamide

C21H26N2O4 — CID 108963881

IUPACN-(2,5-dimethoxyphenyl)-2,2-dimethyl-N'-(2-phenylethyl)propanediamide
SMILESCOc1ccc(OC)c(NC(=O)C(C)(C)C(=O)NCCc2ccccc2)c1
InChIInChI=1S/C21H26N2O4/c1-21(2,19(24)22-13-12-15-8-6-5-7-9-15)20(25)23-17-14-16(26-3)10-11-18(17)27-4/h5-11,14H,12-13H2,1-4H3,(H,22,24)(H,23,25)
InChIKeySYSJYRNRHLWZKP-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.03
Rot. Bonds8

About N-(2,5-dimethoxyphenyl)-2,2-dimethyl-N'-(2-phenylethyl)propanediamide

N-(2,5-dimethoxyphenyl)-2,2-dimethyl-N'-(2-phenylethyl)propanediamide (PubChem CID 108963881) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2,2-dimethyl-N'-(2-phenylethyl)propanediamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2,2-dimethyl-N'-(2-phenylethyl)propanediamide
PubChem CID108963881
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC NameN-(2,5-dimethoxyphenyl)-2,2-dimethyl-N'-(2-phenylethyl)propanediamide
SMILESCOc1ccc(OC)c(NC(=O)C(C)(C)C(=O)NCCc2ccccc2)c1
InChIInChI=1S/C21H26N2O4/c1-21(2,19(24)22-13-12-15-8-6-5-7-9-15)20(25)23-17-14-16(26-3)10-11-18(17)27-4/h5-11,14H,12-13H2,1-4H3,(H,22,24)(H,23,25)
InChIKeySYSJYRNRHLWZKP-UHFFFAOYSA-N
XLogP3.03
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-dimethoxyphenyl)-2,2-dimethyl-N'-(2-phenylethyl)propanediamide
CID 108963883
N-(4-chloro-2-methoxy-5-methylphenyl)-2,2-dimethyl-N'-(2-phenylethyl)propanediamide
CID 108963914
N-(2,5-dimethoxyphenyl)-2-(2-phenylethylamino)-2-sulfanylideneacetamide
CID 2976645
N-(2-ethylphenyl)-N'-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide
CID 108964450
N-(2,5-dimethoxyphenyl)-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide
CID 108969408
N-[2-(3,4-dimethoxyphenyl)ethyl]-2,2-dimethyl-N'-(2-methylphenyl)propanediamide
CID 108965012
1-(2,5-dimethoxyphenyl)-3-[2-(3-methoxyphenyl)ethyl]urea
CID 23880823
N-(2,5-dimethoxyphenyl)-2-methyl-2-phenylpropanamide
CID 13309485
N-(5-chloro-2-methylphenyl)-N'-[2-(3-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide
CID 108964386
N-(2,6-difluorophenyl)-N'-(2,5-dimethoxyphenyl)-2,2-dimethylpropanediamide
CID 108969640
N-(2,4-dichlorophenyl)-2,2-dimethyl-N'-(2-phenylethyl)propanediamide
CID 108963909
N'-(2,5-dimethoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 44995669

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2,2-dimethyl-N'-(2-phenylethyl)propanediamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2,2-dimethyl-N'-(2-phenylethyl)propanediamide (CID 108963881) is N-(2,5-dimethoxyphenyl)-2,2-dimethyl-N'-(2-phenylethyl)propanediamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2,2-dimethyl-N'-(2-phenylethyl)propanediamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2,2-dimethyl-N'-(2-phenylethyl)propanediamide is COc1ccc(OC)c(NC(=O)C(C)(C)C(=O)NCCc2ccccc2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2,2-dimethyl-N'-(2-phenylethyl)propanediamide?
The InChIKey is SYSJYRNRHLWZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-21(2,19(24)22-13-12-15-8-6-5-7-9-15)20(25)23-17-14-16(26-3)10-11-18(17)27-4/h5-11,14H,12-13H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of N-(2,5-dimethoxyphenyl)-2,2-dimethyl-N'-(2-phenylethyl)propanediamide?
N-(2,5-dimethoxyphenyl)-2,2-dimethyl-N'-(2-phenylethyl)propanediamide has a molecular weight of 370.45 g/mol, XLogP of 3.03, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2,2-dimethyl-N'-(2-phenylethyl)propanediamide is sourced from PubChem (CID 108963881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).