N-(2,6-dichloro-3,5-dimethoxyphenyl)-2,2-dimethyl-N-(methylcarbamoyl)propanamide

C15H20Cl2N2O4 — CID 151494641

IUPACN-(2,6-dichloro-3,5-dimethoxyphenyl)-2,2-dimethyl-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)N(C(=O)C(C)(C)C)c1c(Cl)c(OC)cc(OC)c1Cl
InChIInChI=1S/C15H20Cl2N2O4/c1-15(2,3)13(20)19(14(21)18-4)12-10(16)8(22-5)7-9(23-6)11(12)17/h7H,1-6H3,(H,18,21)
InChIKeyPPDZYWXWUQAFMM-UHFFFAOYSA-N
MW363.24 g/mol
LogP3.73
Rot. Bonds3

About N-(2,6-dichloro-3,5-dimethoxyphenyl)-2,2-dimethyl-N-(methylcarbamoyl)propanamide

N-(2,6-dichloro-3,5-dimethoxyphenyl)-2,2-dimethyl-N-(methylcarbamoyl)propanamide (PubChem CID 151494641) has the molecular formula C15H20Cl2N2O4 and a molecular weight of 363.24 g/mol. Its IUPAC name is N-(2,6-dichloro-3,5-dimethoxyphenyl)-2,2-dimethyl-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound NameN-(2,6-dichloro-3,5-dimethoxyphenyl)-2,2-dimethyl-N-(methylcarbamoyl)propanamide
PubChem CID151494641
Molecular FormulaC15H20Cl2N2O4
Molecular Weight363.24 g/mol
Exact Mass362.08
IUPAC NameN-(2,6-dichloro-3,5-dimethoxyphenyl)-2,2-dimethyl-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)N(C(=O)C(C)(C)C)c1c(Cl)c(OC)cc(OC)c1Cl
InChIInChI=1S/C15H20Cl2N2O4/c1-15(2,3)13(20)19(14(21)18-4)12-10(16)8(22-5)7-9(23-6)11(12)17/h7H,1-6H3,(H,18,21)
InChIKeyPPDZYWXWUQAFMM-UHFFFAOYSA-N
XLogP3.73
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.24
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-tert-butyl-2-methoxyphenyl)-1,3-dimethylurea
CID 115168970
2,6-dichloro-3,5-dimethoxybenzoyl chloride
CID 156633344
N-(2-chloro-3-formyl-4,6-dimethoxyphenyl)-2,2-dimethylpropanamide
CID 15710031
3-chloro-6-methoxy-N',2,4-trimethylbenzohydrazide
CID 116846890
1-(4-tert-butyl-2,6-dimethylphenyl)-1,3-dimethylurea
CID 115169017
1-(3-chloro-4-methoxy-2,6-dimethylphenyl)-2-(methylamino)ethanone
CID 84702868
2,6-dichloro-3,5-dimethoxyaniline;N-(2,6-dichloro-3,5-dimethoxyphenyl)acetamide
CID 159426451
2-(5-tert-butyl-2-methoxyphenyl)-N'-methylacetohydrazide
CID 116846169
2-amino-3-chloro-4,6-dimethoxybenzoic acid
CID 136575886
2-(5-chloro-2-methoxyphenyl)-N,2-dimethylpropanehydrazide
CID 116845891
methyl 3-(5-chloro-2,4-dimethoxyanilino)-2-hydroxy-2-methylpropanoate
CID 104643699
bis(5-chloro-4-methoxythiophen-2-yl)methanone
CID 174849819

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichloro-3,5-dimethoxyphenyl)-2,2-dimethyl-N-(methylcarbamoyl)propanamide?
The IUPAC name of N-(2,6-dichloro-3,5-dimethoxyphenyl)-2,2-dimethyl-N-(methylcarbamoyl)propanamide (CID 151494641) is N-(2,6-dichloro-3,5-dimethoxyphenyl)-2,2-dimethyl-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for N-(2,6-dichloro-3,5-dimethoxyphenyl)-2,2-dimethyl-N-(methylcarbamoyl)propanamide?
The canonical SMILES for N-(2,6-dichloro-3,5-dimethoxyphenyl)-2,2-dimethyl-N-(methylcarbamoyl)propanamide is CNC(=O)N(C(=O)C(C)(C)C)c1c(Cl)c(OC)cc(OC)c1Cl.
What is the InChIKey of N-(2,6-dichloro-3,5-dimethoxyphenyl)-2,2-dimethyl-N-(methylcarbamoyl)propanamide?
The InChIKey is PPDZYWXWUQAFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O4/c1-15(2,3)13(20)19(14(21)18-4)12-10(16)8(22-5)7-9(23-6)11(12)17/h7H,1-6H3,(H,18,21).
What are the key properties of N-(2,6-dichloro-3,5-dimethoxyphenyl)-2,2-dimethyl-N-(methylcarbamoyl)propanamide?
N-(2,6-dichloro-3,5-dimethoxyphenyl)-2,2-dimethyl-N-(methylcarbamoyl)propanamide has a molecular weight of 363.24 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichloro-3,5-dimethoxyphenyl)-2,2-dimethyl-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 151494641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).