2-(hydroxymethyl)-N-(4-methoxy-3,5-dimethylphenyl)butanamide

C14H21NO3 — CID 115186393

IUPAC2-(hydroxymethyl)-N-(4-methoxy-3,5-dimethylphenyl)butanamide
SMILESCCC(CO)C(=O)Nc1cc(C)c(OC)c(C)c1
InChIInChI=1S/C14H21NO3/c1-5-11(8-16)14(17)15-12-6-9(2)13(18-4)10(3)7-12/h6-7,11,16H,5,8H2,1-4H3,(H,15,17)
InChIKeyCSVXKYTYMXNORO-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.27
Rot. Bonds5

About 2-(hydroxymethyl)-N-(4-methoxy-3,5-dimethylphenyl)butanamide

2-(hydroxymethyl)-N-(4-methoxy-3,5-dimethylphenyl)butanamide (PubChem CID 115186393) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(hydroxymethyl)-N-(4-methoxy-3,5-dimethylphenyl)butanamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-N-(4-methoxy-3,5-dimethylphenyl)butanamide
PubChem CID115186393
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-(hydroxymethyl)-N-(4-methoxy-3,5-dimethylphenyl)butanamide
SMILESCCC(CO)C(=O)Nc1cc(C)c(OC)c(C)c1
InChIInChI=1S/C14H21NO3/c1-5-11(8-16)14(17)15-12-6-9(2)13(18-4)10(3)7-12/h6-7,11,16H,5,8H2,1-4H3,(H,15,17)
InChIKeyCSVXKYTYMXNORO-UHFFFAOYSA-N
XLogP2.27
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(hydroxymethyl)-N-(4-methoxy-2,3,5-trimethylphenyl)butanamide
CID 115186351
3-amino-N-(4-methoxy-3,5-dimethylphenyl)-2-methylpropanamide
CID 115153518
methyl 3-(4-methoxy-3,5-dimethylanilino)-3-oxopropanoate
CID 115174171
2-(hydroxymethyl)-N-methylbutanamide
CID 58973980
N-(4-methoxy-3,5-dimethylphenyl)-2,2-dimethylpropanamide
CID 22905642
2-(4-methoxy-3,5-dimethylphenyl)butan-1-ol
CID 116964178
5-(4-methoxy-3,5-dimethylanilino)-5-oxopentanoic acid
CID 115163818
N-(2,3-dihydro-1H-inden-5-yl)-2-(hydroxymethyl)butanamide
CID 115186317
2-(hydroxymethyl)-N-[2-(4-methoxy-3-methylphenyl)ethyl]butanamide
CID 115186688
methyl 2-(4-methoxy-3,5-dimethylanilino)acetate
CID 115232720
N-(4-bromo-3,5-dimethylphenyl)-2-propylpentanamide
CID 107575057
2-amino-3-(4-methoxy-3,5-dimethylanilino)propan-1-ol
CID 115120343

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-N-(4-methoxy-3,5-dimethylphenyl)butanamide?
The IUPAC name of 2-(hydroxymethyl)-N-(4-methoxy-3,5-dimethylphenyl)butanamide (CID 115186393) is 2-(hydroxymethyl)-N-(4-methoxy-3,5-dimethylphenyl)butanamide.
What is the SMILES notation for 2-(hydroxymethyl)-N-(4-methoxy-3,5-dimethylphenyl)butanamide?
The canonical SMILES for 2-(hydroxymethyl)-N-(4-methoxy-3,5-dimethylphenyl)butanamide is CCC(CO)C(=O)Nc1cc(C)c(OC)c(C)c1.
What is the InChIKey of 2-(hydroxymethyl)-N-(4-methoxy-3,5-dimethylphenyl)butanamide?
The InChIKey is CSVXKYTYMXNORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-5-11(8-16)14(17)15-12-6-9(2)13(18-4)10(3)7-12/h6-7,11,16H,5,8H2,1-4H3,(H,15,17).
What are the key properties of 2-(hydroxymethyl)-N-(4-methoxy-3,5-dimethylphenyl)butanamide?
2-(hydroxymethyl)-N-(4-methoxy-3,5-dimethylphenyl)butanamide has a molecular weight of 251.33 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-N-(4-methoxy-3,5-dimethylphenyl)butanamide is sourced from PubChem (CID 115186393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).