N-[(3,4-dimethoxyphenyl)methyl]-2-hydroxy-N,2-dimethylpropanamide

C14H21NO4 — CID 115178823

IUPACN-[(3,4-dimethoxyphenyl)methyl]-2-hydroxy-N,2-dimethylpropanamide
SMILESCOc1ccc(CN(C)C(=O)C(C)(C)O)cc1OC
InChIInChI=1S/C14H21NO4/c1-14(2,17)13(16)15(3)9-10-6-7-11(18-4)12(8-10)19-5/h6-8,17H,9H2,1-5H3
InChIKeyWBMOFVHWFINLCQ-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.43
Rot. Bonds5

About N-[(3,4-dimethoxyphenyl)methyl]-2-hydroxy-N,2-dimethylpropanamide

N-[(3,4-dimethoxyphenyl)methyl]-2-hydroxy-N,2-dimethylpropanamide (PubChem CID 115178823) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-2-hydroxy-N,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-2-hydroxy-N,2-dimethylpropanamide
PubChem CID115178823
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-2-hydroxy-N,2-dimethylpropanamide
SMILESCOc1ccc(CN(C)C(=O)C(C)(C)O)cc1OC
InChIInChI=1S/C14H21NO4/c1-14(2,17)13(16)15(3)9-10-6-7-11(18-4)12(8-10)19-5/h6-8,17H,9H2,1-5H3
InChIKeyWBMOFVHWFINLCQ-UHFFFAOYSA-N
XLogP1.43
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[(3,4-dimethoxyphenyl)methyl]-2-ethyl-N-methylbutanamide
CID 79814208
N-[(3,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 14117549
N-[(3,4-dimethoxyphenyl)methyl]-N,2-dimethylpropanamide
CID 60628303
2-[(3,4-dimethoxyphenyl)methyl-methylamino]-2-methylpropanoic acid
CID 55123362
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethylphenyl)-N-methylacetamide
CID 100741439
4-amino-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbenzamide
CID 10424874
N-[(3,4-dimethoxyphenyl)methyl]-2-(ethylamino)-N-methylacetamide
CID 60641112
2-cyano-N-[(4-methoxy-3-methylphenyl)methyl]-N,2-dimethylpropanamide
CID 115175144
3-amino-N-[(3,4-dimethoxyphenyl)methyl]-2-methoxy-N-methylpropanamide
CID 106111912
2-amino-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbutanediamide
CID 60937652
1-N-[(3,4-dimethoxyphenyl)methyl]-1-N,2-N,2-trimethylpropane-1,2-diamine
CID 115222331
N-[2-(3,4-dimethoxyphenyl)ethyl]-N,2,2,3-tetramethylbutanamide
CID 69472007

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-hydroxy-N,2-dimethylpropanamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-hydroxy-N,2-dimethylpropanamide (CID 115178823) is N-[(3,4-dimethoxyphenyl)methyl]-2-hydroxy-N,2-dimethylpropanamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-2-hydroxy-N,2-dimethylpropanamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-2-hydroxy-N,2-dimethylpropanamide is COc1ccc(CN(C)C(=O)C(C)(C)O)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-2-hydroxy-N,2-dimethylpropanamide?
The InChIKey is WBMOFVHWFINLCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-14(2,17)13(16)15(3)9-10-6-7-11(18-4)12(8-10)19-5/h6-8,17H,9H2,1-5H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-2-hydroxy-N,2-dimethylpropanamide?
N-[(3,4-dimethoxyphenyl)methyl]-2-hydroxy-N,2-dimethylpropanamide has a molecular weight of 267.32 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-2-hydroxy-N,2-dimethylpropanamide is sourced from PubChem (CID 115178823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).