N-(3,4-dimethoxyphenyl)-2,2-dimethyl-N'-(2-phenylethyl)propanediamide

C21H26N2O4 — CID 108963883

IUPACN-(3,4-dimethoxyphenyl)-2,2-dimethyl-N'-(2-phenylethyl)propanediamide
SMILESCOc1ccc(NC(=O)C(C)(C)C(=O)NCCc2ccccc2)cc1OC
InChIInChI=1S/C21H26N2O4/c1-21(2,19(24)22-13-12-15-8-6-5-7-9-15)20(25)23-16-10-11-17(26-3)18(14-16)27-4/h5-11,14H,12-13H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyMUCVQTQYUNRUFZ-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.03
Rot. Bonds8

About N-(3,4-dimethoxyphenyl)-2,2-dimethyl-N'-(2-phenylethyl)propanediamide

N-(3,4-dimethoxyphenyl)-2,2-dimethyl-N'-(2-phenylethyl)propanediamide (PubChem CID 108963883) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2,2-dimethyl-N'-(2-phenylethyl)propanediamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2,2-dimethyl-N'-(2-phenylethyl)propanediamide
PubChem CID108963883
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC NameN-(3,4-dimethoxyphenyl)-2,2-dimethyl-N'-(2-phenylethyl)propanediamide
SMILESCOc1ccc(NC(=O)C(C)(C)C(=O)NCCc2ccccc2)cc1OC
InChIInChI=1S/C21H26N2O4/c1-21(2,19(24)22-13-12-15-8-6-5-7-9-15)20(25)23-16-10-11-17(26-3)18(14-16)27-4/h5-11,14H,12-13H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyMUCVQTQYUNRUFZ-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-(2,5-dimethoxyphenyl)-2,2-dimethyl-N'-(2-phenylethyl)propanediamide
CID 108963881
N-(3,4-dimethoxyphenyl)-N'-[2-(dimethylamino)ethyl]-2,2-dimethylpropanediamide
CID 108960294
1-(3,4-dimethoxyphenyl)-3-(2-phenylethyl)thiourea
CID 7738775
1-N'-(3,4-dimethoxyphenyl)-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108977169
N-[2-(3,4-dimethoxyphenyl)ethyl]-2,2-dimethyl-N'-(2-methylphenyl)propanediamide
CID 108965012
N-(3,5-dichlorophenyl)-2,2-dimethyl-N'-(2-phenylethyl)propanediamide
CID 108963911
N-(3,4-dimethoxyphenyl)-N'-(2-methoxyphenyl)-2,2-dimethylpropanediamide
CID 108969309
N-(4-chloro-2-methoxy-5-methylphenyl)-2,2-dimethyl-N'-(2-phenylethyl)propanediamide
CID 108963914
N-(4-acetamidophenyl)-N'-(3,4-dimethoxyphenyl)-2,2-dimethylpropanediamide
CID 108969664
N-(3-chloro-4-methylphenyl)-N'-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide
CID 108964469
N-(3-chloro-4-methylphenyl)-2,2-dimethyl-N'-(3-phenylpropyl)propanediamide
CID 108965837
N-[2-(3,4-dimethoxyphenyl)ethyl]-2,2-dimethyl-N'-(pyridin-4-ylmethyl)propanediamide
CID 108963657

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2,2-dimethyl-N'-(2-phenylethyl)propanediamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2,2-dimethyl-N'-(2-phenylethyl)propanediamide (CID 108963883) is N-(3,4-dimethoxyphenyl)-2,2-dimethyl-N'-(2-phenylethyl)propanediamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2,2-dimethyl-N'-(2-phenylethyl)propanediamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2,2-dimethyl-N'-(2-phenylethyl)propanediamide is COc1ccc(NC(=O)C(C)(C)C(=O)NCCc2ccccc2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2,2-dimethyl-N'-(2-phenylethyl)propanediamide?
The InChIKey is MUCVQTQYUNRUFZ-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)23-16-10-11-17(26-3)18(14-16)27-4/h5-11,14H,12-13H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of N-(3,4-dimethoxyphenyl)-2,2-dimethyl-N'-(2-phenylethyl)propanediamide?
N-(3,4-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-(3,4-dimethoxyphenyl)-2,2-dimethyl-N'-(2-phenylethyl)propanediamide is sourced from PubChem (CID 108963883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).