N-butyl-2-[4-(hydroxymethyl)-2-methoxyphenoxy]acetamide

C14H21NO4 — CID 60627689

IUPACN-butyl-2-[4-(hydroxymethyl)-2-methoxyphenoxy]acetamide
SMILESCCCCNC(=O)COc1ccc(CO)cc1OC
InChIInChI=1S/C14H21NO4/c1-3-4-7-15-14(17)10-19-12-6-5-11(9-16)8-13(12)18-2/h5-6,8,16H,3-4,7,9-10H2,1-2H3,(H,15,17)
InChIKeyDONNOIFFPDWDFQ-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.48
Rot. Bonds8

About N-butyl-2-[4-(hydroxymethyl)-2-methoxyphenoxy]acetamide

N-butyl-2-[4-(hydroxymethyl)-2-methoxyphenoxy]acetamide (PubChem CID 60627689) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is N-butyl-2-[4-(hydroxymethyl)-2-methoxyphenoxy]acetamide.

Molecular Properties

Compound NameN-butyl-2-[4-(hydroxymethyl)-2-methoxyphenoxy]acetamide
PubChem CID60627689
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC NameN-butyl-2-[4-(hydroxymethyl)-2-methoxyphenoxy]acetamide
SMILESCCCCNC(=O)COc1ccc(CO)cc1OC
InChIInChI=1S/C14H21NO4/c1-3-4-7-15-14(17)10-19-12-6-5-11(9-16)8-13(12)18-2/h5-6,8,16H,3-4,7,9-10H2,1-2H3,(H,15,17)
InChIKeyDONNOIFFPDWDFQ-UHFFFAOYSA-N
XLogP1.48
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 78767935
2-[4-(hydroxymethyl)-2-methoxyphenoxy]-N-(2-phenylethyl)acetamide
CID 19621775
N-butyl-2-[2-methoxy-5-(methylaminomethyl)phenoxy]acetamide
CID 61485632
2-[5-(hydroxymethyl)-2-methoxyphenoxy]-N-(2-methoxyethyl)acetamide
CID 61485467
2-[4-[[[amino(butylamino)methylidene]amino]methyl]-2-methoxyphenoxy]-N-ethylacetamide;hydroiodide
CID 111048109
N'-acetyl-2-[4-(hydroxymethyl)-2-methoxyphenoxy]acetohydrazide
CID 3903060
2-[4-(hydroxymethyl)-2-iodo-6-methoxyphenoxy]-N-pentylacetamide
CID 167759308
2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-butylacetamide
CID 61485578
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 748754
butyl-[[3-methoxy-4-[2-oxo-2-(2-phenylethylamino)ethoxy]phenyl]methyl]azanium
CID 7372063
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-ethoxyphenoxy)acetamide
CID 19177361
N-hexyl-2-(2-methoxyphenoxy)acetamide
CID 19169780

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[4-(hydroxymethyl)-2-methoxyphenoxy]acetamide?
The IUPAC name of N-butyl-2-[4-(hydroxymethyl)-2-methoxyphenoxy]acetamide (CID 60627689) is N-butyl-2-[4-(hydroxymethyl)-2-methoxyphenoxy]acetamide.
What is the SMILES notation for N-butyl-2-[4-(hydroxymethyl)-2-methoxyphenoxy]acetamide?
The canonical SMILES for N-butyl-2-[4-(hydroxymethyl)-2-methoxyphenoxy]acetamide is CCCCNC(=O)COc1ccc(CO)cc1OC.
What is the InChIKey of N-butyl-2-[4-(hydroxymethyl)-2-methoxyphenoxy]acetamide?
The InChIKey is DONNOIFFPDWDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-3-4-7-15-14(17)10-19-12-6-5-11(9-16)8-13(12)18-2/h5-6,8,16H,3-4,7,9-10H2,1-2H3,(H,15,17).
What are the key properties of N-butyl-2-[4-(hydroxymethyl)-2-methoxyphenoxy]acetamide?
N-butyl-2-[4-(hydroxymethyl)-2-methoxyphenoxy]acetamide has a molecular weight of 267.32 g/mol, XLogP of 1.48, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[4-(hydroxymethyl)-2-methoxyphenoxy]acetamide is sourced from PubChem (CID 60627689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).