3-[2-(hydroxymethyl)-5-methoxyphenoxy]-N,N-dimethylpropanamide

C13H19NO4 — CID 61269047

IUPAC3-[2-(hydroxymethyl)-5-methoxyphenoxy]-N,N-dimethylpropanamide
SMILESCOc1ccc(CO)c(OCCC(=O)N(C)C)c1
InChIInChI=1S/C13H19NO4/c1-14(2)13(16)6-7-18-12-8-11(17-3)5-4-10(12)9-15/h4-5,8,15H,6-7,9H2,1-3H3
InChIKeyUPBHUGNHHOSSHB-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.04
Rot. Bonds6

About 3-[2-(hydroxymethyl)-5-methoxyphenoxy]-N,N-dimethylpropanamide

3-[2-(hydroxymethyl)-5-methoxyphenoxy]-N,N-dimethylpropanamide (PubChem CID 61269047) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is 3-[2-(hydroxymethyl)-5-methoxyphenoxy]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[2-(hydroxymethyl)-5-methoxyphenoxy]-N,N-dimethylpropanamide
PubChem CID61269047
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Name3-[2-(hydroxymethyl)-5-methoxyphenoxy]-N,N-dimethylpropanamide
SMILESCOc1ccc(CO)c(OCCC(=O)N(C)C)c1
InChIInChI=1S/C13H19NO4/c1-14(2)13(16)6-7-18-12-8-11(17-3)5-4-10(12)9-15/h4-5,8,15H,6-7,9H2,1-3H3
InChIKeyUPBHUGNHHOSSHB-UHFFFAOYSA-N
XLogP1.04
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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

3-[2-(hydroxymethyl)-4-methoxyphenoxy]-N,N-dimethylpropanamide
CID 54879094
3-[2-(aminomethyl)-5-methoxyphenoxy]-N,N-dimethylpropanamide
CID 61269630
(2-ethoxy-4-methoxyphenyl)methanol
CID 61267380
N,N-diethyl-2-[2-(hydroxymethyl)-5-methoxyphenoxy]acetamide
CID 61269414
(2-docosoxy-4-methoxyphenyl)methanol
CID 53257210
[4-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]methanol
CID 54957551
[4-methoxy-2-(2-propylsulfonylethoxy)phenyl]methanol
CID 106726179
4-[2-[(1R)-1-aminoethyl]-5-methoxyphenoxy]-N,N-dimethylbutanamide
CID 82001215
3-[2-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]propanoic acid
CID 20988529
[4-methoxy-2-(2-pyridin-4-ylethoxy)phenyl]methanol
CID 61268316
(2-hept-6-enoxy-4-methoxyphenyl)methanol
CID 107007477
[2-(2,2-difluoroethoxy)-4-methoxyphenyl]methanol
CID 61269046

Frequently Asked Questions

What is the IUPAC name of 3-[2-(hydroxymethyl)-5-methoxyphenoxy]-N,N-dimethylpropanamide?
The IUPAC name of 3-[2-(hydroxymethyl)-5-methoxyphenoxy]-N,N-dimethylpropanamide (CID 61269047) is 3-[2-(hydroxymethyl)-5-methoxyphenoxy]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[2-(hydroxymethyl)-5-methoxyphenoxy]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[2-(hydroxymethyl)-5-methoxyphenoxy]-N,N-dimethylpropanamide is COc1ccc(CO)c(OCCC(=O)N(C)C)c1.
What is the InChIKey of 3-[2-(hydroxymethyl)-5-methoxyphenoxy]-N,N-dimethylpropanamide?
The InChIKey is UPBHUGNHHOSSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-14(2)13(16)6-7-18-12-8-11(17-3)5-4-10(12)9-15/h4-5,8,15H,6-7,9H2,1-3H3.
What are the key properties of 3-[2-(hydroxymethyl)-5-methoxyphenoxy]-N,N-dimethylpropanamide?
3-[2-(hydroxymethyl)-5-methoxyphenoxy]-N,N-dimethylpropanamide has a molecular weight of 253.30 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(hydroxymethyl)-5-methoxyphenoxy]-N,N-dimethylpropanamide is sourced from PubChem (CID 61269047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).