N-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylpropanamide

C13H19NO4 — CID 115140783

IUPACN-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylpropanamide
SMILESCOc1ccc(CN(C)C(=O)C(C)O)c(OC)c1
InChIInChI=1S/C13H19NO4/c1-9(15)13(16)14(2)8-10-5-6-11(17-3)7-12(10)18-4/h5-7,9,15H,8H2,1-4H3
InChIKeyUYYMYJXJQKRAQY-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.04
Rot. Bonds5

About N-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylpropanamide

N-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylpropanamide (PubChem CID 115140783) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylpropanamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylpropanamide
PubChem CID115140783
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylpropanamide
SMILESCOc1ccc(CN(C)C(=O)C(C)O)c(OC)c1
InChIInChI=1S/C13H19NO4/c1-9(15)13(16)14(2)8-10-5-6-11(17-3)7-12(10)18-4/h5-7,9,15H,8H2,1-4H3
InChIKeyUYYMYJXJQKRAQY-UHFFFAOYSA-N
XLogP1.04
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,4-dimethoxyphenyl)methyl-methylcarbamic acid
CID 115170960
(2,4-dimethoxyphenyl)methyl-methylcarbamothioic S-acid
CID 115170104
N-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 94687468
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxy-N-methylbenzamide
CID 18111734
N-[2-(2,5-dimethoxyphenyl)ethyl]-2-hydroxy-N-methylpropanamide
CID 115141026
N-[(2,4-dimethoxyphenyl)methyl]-2-(ethylamino)-N-methylacetamide
CID 115157957
N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide
CID 7930585
N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-3-methylsulfanylpropanamide
CID 112790479
N-[(2,4-dimethoxyphenyl)methyl]-N,6-dimethylpyridine-2-carboxamide
CID 32893963
2-[(2,4-dimethoxyphenyl)methyl-methylamino]acetic acid
CID 60712632
2-(4-aminophenyl)-N-[(2,4-dimethoxyphenyl)methyl]-N-methylacetamide
CID 119682696
N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-4-(methylamino)butanamide
CID 119682698

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylpropanamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylpropanamide (CID 115140783) is N-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylpropanamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylpropanamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylpropanamide is COc1ccc(CN(C)C(=O)C(C)O)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylpropanamide?
The InChIKey is UYYMYJXJQKRAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-9(15)13(16)14(2)8-10-5-6-11(17-3)7-12(10)18-4/h5-7,9,15H,8H2,1-4H3.
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylpropanamide?
N-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylpropanamide has a molecular weight of 253.30 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylpropanamide is sourced from PubChem (CID 115140783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).