N-(2-chloro-4,5-dimethoxyphenyl)-2-methyl-2-(methylamino)propanamide

C13H19ClN2O3 — CID 62836762

IUPACN-(2-chloro-4,5-dimethoxyphenyl)-2-methyl-2-(methylamino)propanamide
SMILESCNC(C)(C)C(=O)Nc1cc(OC)c(OC)cc1Cl
InChIInChI=1S/C13H19ClN2O3/c1-13(2,15-3)12(17)16-9-7-11(19-5)10(18-4)6-8(9)14/h6-7,15H,1-5H3,(H,16,17)
InChIKeySZHZRIXXXSVVQF-UHFFFAOYSA-N
MW286.76 g/mol
LogP2.29
Rot. Bonds5

About N-(2-chloro-4,5-dimethoxyphenyl)-2-methyl-2-(methylamino)propanamide

N-(2-chloro-4,5-dimethoxyphenyl)-2-methyl-2-(methylamino)propanamide (PubChem CID 62836762) has the molecular formula C13H19ClN2O3 and a molecular weight of 286.76 g/mol. Its IUPAC name is N-(2-chloro-4,5-dimethoxyphenyl)-2-methyl-2-(methylamino)propanamide.

Molecular Properties

Compound NameN-(2-chloro-4,5-dimethoxyphenyl)-2-methyl-2-(methylamino)propanamide
PubChem CID62836762
Molecular FormulaC13H19ClN2O3
Molecular Weight286.76 g/mol
Exact Mass286.11
IUPAC NameN-(2-chloro-4,5-dimethoxyphenyl)-2-methyl-2-(methylamino)propanamide
SMILESCNC(C)(C)C(=O)Nc1cc(OC)c(OC)cc1Cl
InChIInChI=1S/C13H19ClN2O3/c1-13(2,15-3)12(17)16-9-7-11(19-5)10(18-4)6-8(9)14/h6-7,15H,1-5H3,(H,16,17)
InChIKeySZHZRIXXXSVVQF-UHFFFAOYSA-N
XLogP2.29
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloro-4,5-dimethoxyphenyl)acetamide
CID 60709552
N-(2-chloro-4,5-dimethoxyphenyl)-3,3-dimethylbutanamide
CID 18139937
N-(2,5-dichlorophenyl)-2-methyl-2-(methylamino)propanamide
CID 62834105
N-(2-chloro-4,5-dimethoxyphenyl)-2-methylpropanamide
CID 46568251
5-chloro-2-methoxy-4-[(2-methoxy-2-methylpropanoyl)amino]benzoic acid
CID 103018243
methyl 5-chloro-2-methoxy-4-[(2,2,2-trifluoroacetyl)amino]benzoate
CID 19170678
N-(2-chlorophenyl)-2-methyl-2-(methylamino)propanamide
CID 62835426
N-tert-butyl-N'-(4-chloro-2,5-dimethoxyphenyl)-2,2-dimethylpropanediamide
CID 108966057
N-(2-chloro-4,5-dimethoxyphenyl)-5-methylfuran-2-carboxamide
CID 18139943
N-(3-hydroxy-4-methoxyphenyl)-2-methyl-2-(methylamino)propanamide
CID 62846141
N-(2-chloro-4,5-dimethoxyphenyl)-4-methylpentanamide
CID 43040630
N-(2-chloro-4,5-dimethoxyphenyl)-3-(2-methoxyphenyl)propanamide
CID 17461303

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,5-dimethoxyphenyl)-2-methyl-2-(methylamino)propanamide?
The IUPAC name of N-(2-chloro-4,5-dimethoxyphenyl)-2-methyl-2-(methylamino)propanamide (CID 62836762) is N-(2-chloro-4,5-dimethoxyphenyl)-2-methyl-2-(methylamino)propanamide.
What is the SMILES notation for N-(2-chloro-4,5-dimethoxyphenyl)-2-methyl-2-(methylamino)propanamide?
The canonical SMILES for N-(2-chloro-4,5-dimethoxyphenyl)-2-methyl-2-(methylamino)propanamide is CNC(C)(C)C(=O)Nc1cc(OC)c(OC)cc1Cl.
What is the InChIKey of N-(2-chloro-4,5-dimethoxyphenyl)-2-methyl-2-(methylamino)propanamide?
The InChIKey is SZHZRIXXXSVVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3/c1-13(2,15-3)12(17)16-9-7-11(19-5)10(18-4)6-8(9)14/h6-7,15H,1-5H3,(H,16,17).
What are the key properties of N-(2-chloro-4,5-dimethoxyphenyl)-2-methyl-2-(methylamino)propanamide?
N-(2-chloro-4,5-dimethoxyphenyl)-2-methyl-2-(methylamino)propanamide has a molecular weight of 286.76 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,5-dimethoxyphenyl)-2-methyl-2-(methylamino)propanamide is sourced from PubChem (CID 62836762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).