N-(4-chloro-2,5-dimethoxyphenyl)-2,2-dimethyl-N'-(3-methylphenyl)propanediamide

C20H23ClN2O4 — CID 108967417

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-2,2-dimethyl-N'-(3-methylphenyl)propanediamide
SMILESCOc1cc(NC(=O)C(C)(C)C(=O)Nc2cccc(C)c2)c(OC)cc1Cl
InChIInChI=1S/C20H23ClN2O4/c1-12-7-6-8-13(9-12)22-18(24)20(2,3)19(25)23-15-11-16(26-4)14(21)10-17(15)27-5/h6-11H,1-5H3,(H,22,24)(H,23,25)
InChIKeyJCMVMQKBXSTGSQ-UHFFFAOYSA-N
MW390.87 g/mol
LogP4.27
Rot. Bonds6

About N-(4-chloro-2,5-dimethoxyphenyl)-2,2-dimethyl-N'-(3-methylphenyl)propanediamide

N-(4-chloro-2,5-dimethoxyphenyl)-2,2-dimethyl-N'-(3-methylphenyl)propanediamide (PubChem CID 108967417) has the molecular formula C20H23ClN2O4 and a molecular weight of 390.87 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-2,2-dimethyl-N'-(3-methylphenyl)propanediamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-2,2-dimethyl-N'-(3-methylphenyl)propanediamide
PubChem CID108967417
Molecular FormulaC20H23ClN2O4
Molecular Weight390.87 g/mol
Exact Mass390.13
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-2,2-dimethyl-N'-(3-methylphenyl)propanediamide
SMILESCOc1cc(NC(=O)C(C)(C)C(=O)Nc2cccc(C)c2)c(OC)cc1Cl
InChIInChI=1S/C20H23ClN2O4/c1-12-7-6-8-13(9-12)22-18(24)20(2,3)19(25)23-15-11-16(26-4)14(21)10-17(15)27-5/h6-11H,1-5H3,(H,22,24)(H,23,25)
InChIKeyJCMVMQKBXSTGSQ-UHFFFAOYSA-N
XLogP4.27
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 54.27
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-(2,4-dimethoxyphenyl)-2,2-dimethyl-N'-(3-methylphenyl)propanediamide
CID 108967373
N-(4-chloro-2,5-dimethoxyphenyl)-3-(3-methylanilino)propanamide
CID 109034321
N-(2,3-dichlorophenyl)-2,2-dimethyl-N'-(3-methylphenyl)propanediamide
CID 108967416
N-tert-butyl-N'-(4-chloro-2,5-dimethoxyphenyl)-2,2-dimethylpropanediamide
CID 108966057
N-(4-chloro-2-methoxy-5-methylphenyl)-2,2-dimethyl-N'-(4-methylphenyl)propanediamide
CID 108967518
N-(2,4-dichlorophenyl)-2,2-dimethyl-N'-(3-methylphenyl)propanediamide
CID 108967412
methyl 2-[[2,2-dimethyl-3-(3-methylanilino)-3-oxopropanoyl]amino]benzoate
CID 108967382
2-(3-bromoanilino)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 42026315
1-(4-chloro-2-methoxy-5-methylphenyl)-3-(3-methylphenyl)thiourea
CID 29175690
N-[4-(4-chloro-2,5-dimethoxyanilino)phenyl]-2,2-dimethylpropanamide
CID 112989711
N-(4-chloro-2,5-dimethoxyphenyl)-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide
CID 108958901
2,2-dimethyl-N-(3-methylphenyl)-N'-(2-propan-2-ylphenyl)propanediamide
CID 108967343

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-2,2-dimethyl-N'-(3-methylphenyl)propanediamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-2,2-dimethyl-N'-(3-methylphenyl)propanediamide (CID 108967417) is N-(4-chloro-2,5-dimethoxyphenyl)-2,2-dimethyl-N'-(3-methylphenyl)propanediamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-2,2-dimethyl-N'-(3-methylphenyl)propanediamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-2,2-dimethyl-N'-(3-methylphenyl)propanediamide is COc1cc(NC(=O)C(C)(C)C(=O)Nc2cccc(C)c2)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-2,2-dimethyl-N'-(3-methylphenyl)propanediamide?
The InChIKey is JCMVMQKBXSTGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O4/c1-12-7-6-8-13(9-12)22-18(24)20(2,3)19(25)23-15-11-16(26-4)14(21)10-17(15)27-5/h6-11H,1-5H3,(H,22,24)(H,23,25).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-2,2-dimethyl-N'-(3-methylphenyl)propanediamide?
N-(4-chloro-2,5-dimethoxyphenyl)-2,2-dimethyl-N'-(3-methylphenyl)propanediamide has a molecular weight of 390.87 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-2,2-dimethyl-N'-(3-methylphenyl)propanediamide is sourced from PubChem (CID 108967417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).