N-(2,4-dimethoxyphenyl)-2-methyl-3-(methylamino)propanamide

C13H20N2O3 — CID 79195727

IUPACN-(2,4-dimethoxyphenyl)-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)Nc1ccc(OC)cc1OC
InChIInChI=1S/C13H20N2O3/c1-9(8-14-2)13(16)15-11-6-5-10(17-3)7-12(11)18-4/h5-7,9,14H,8H2,1-4H3,(H,15,16)
InChIKeyBNABYKXZODWAPL-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.50
Rot. Bonds6

About N-(2,4-dimethoxyphenyl)-2-methyl-3-(methylamino)propanamide

N-(2,4-dimethoxyphenyl)-2-methyl-3-(methylamino)propanamide (PubChem CID 79195727) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-methyl-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-methyl-3-(methylamino)propanamide
PubChem CID79195727
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC NameN-(2,4-dimethoxyphenyl)-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)Nc1ccc(OC)cc1OC
InChIInChI=1S/C13H20N2O3/c1-9(8-14-2)13(16)15-11-6-5-10(17-3)7-12(11)18-4/h5-7,9,14H,8H2,1-4H3,(H,15,16)
InChIKeyBNABYKXZODWAPL-UHFFFAOYSA-N
XLogP1.50
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)-2-methylpropanamide
CID 48846730
N-cyclopropyl-5-methoxy-2-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide
CID 119778200
(2S)-2-amino-N-(2,4-dimethoxyphenyl)-4-methylpentanamide
CID 22691067
(2S)-2-amino-N-(2,4-dimethoxyphenyl)-3-methylpentanamide
CID 22690883
(2R)-N-(2,4-dimethoxyphenyl)-2-phenylpropanamide
CID 97038174
(2S)-2-amino-N-(2,4-dimethoxyphenyl)-3,3-dimethylbutanamide
CID 61148145
1-(2,4-dimethoxyphenyl)-3-[(2S)-1-methoxypropan-2-yl]urea
CID 94812273
(2R)-N-(2,4-dimethoxyphenyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 38900928
N-[3-(2,4-dimethoxyanilino)-3-oxopropyl]-2-methylpropanamide
CID 50875892
N-(2,4-dimethoxyphenyl)-2-(2-ethylphenoxy)propanamide
CID 46763983
(2S)-N-(2,4-dimethoxyphenyl)-2-(2-ethylphenoxy)propanamide
CID 94012680
1-(2,4-dimethoxyphenyl)-3-[(E)-3-methylbut-1-enyl]urea
CID 108911046

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-methyl-3-(methylamino)propanamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-methyl-3-(methylamino)propanamide (CID 79195727) is N-(2,4-dimethoxyphenyl)-2-methyl-3-(methylamino)propanamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-methyl-3-(methylamino)propanamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-methyl-3-(methylamino)propanamide is CNCC(C)C(=O)Nc1ccc(OC)cc1OC.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-methyl-3-(methylamino)propanamide?
The InChIKey is BNABYKXZODWAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-9(8-14-2)13(16)15-11-6-5-10(17-3)7-12(11)18-4/h5-7,9,14H,8H2,1-4H3,(H,15,16).
What are the key properties of N-(2,4-dimethoxyphenyl)-2-methyl-3-(methylamino)propanamide?
N-(2,4-dimethoxyphenyl)-2-methyl-3-(methylamino)propanamide has a molecular weight of 252.31 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-methyl-3-(methylamino)propanamide is sourced from PubChem (CID 79195727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).