2-(hydroxymethyl)-N-[2-(3-methoxyphenyl)ethyl]butanamide

C14H21NO3 — CID 115186724

IUPAC2-(hydroxymethyl)-N-[2-(3-methoxyphenyl)ethyl]butanamide
SMILESCCC(CO)C(=O)NCCc1cccc(OC)c1
InChIInChI=1S/C14H21NO3/c1-3-12(10-16)14(17)15-8-7-11-5-4-6-13(9-11)18-2/h4-6,9,12,16H,3,7-8,10H2,1-2H3,(H,15,17)
InChIKeyXIINUFOFBQDQKS-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.37
Rot. Bonds7

About 2-(hydroxymethyl)-N-[2-(3-methoxyphenyl)ethyl]butanamide

2-(hydroxymethyl)-N-[2-(3-methoxyphenyl)ethyl]butanamide (PubChem CID 115186724) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(hydroxymethyl)-N-[2-(3-methoxyphenyl)ethyl]butanamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-N-[2-(3-methoxyphenyl)ethyl]butanamide
PubChem CID115186724
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-(hydroxymethyl)-N-[2-(3-methoxyphenyl)ethyl]butanamide
SMILESCCC(CO)C(=O)NCCc1cccc(OC)c1
InChIInChI=1S/C14H21NO3/c1-3-12(10-16)14(17)15-8-7-11-5-4-6-13(9-11)18-2/h4-6,9,12,16H,3,7-8,10H2,1-2H3,(H,15,17)
InChIKeyXIINUFOFBQDQKS-UHFFFAOYSA-N
XLogP1.37
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-bromophenyl)ethyl]-2-(hydroxymethyl)butanamide
CID 115186719
2-bromo-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 107906044
2-chloro-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 103881563
2-cyano-N-[2-(3-methoxyphenyl)ethyl]butanamide
CID 114009269
2-hydroxy-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 94681482
2-(hydroxymethyl)-N-[2-(4-methoxy-3-methylphenyl)ethyl]butanamide
CID 115186688
N-[2-(3-methoxyphenyl)ethyl]-2-oxopropanamide
CID 110478240
2-chloro-N-[2-(3-methoxyphenyl)ethyl]-2-phenylacetamide
CID 107851262
3,5-dibromo-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 107980616
2-hydroxy-N-[2-(3-methoxyphenyl)ethyl]-2-phenylacetamide
CID 111536720
2-[2-(3-methoxyphenyl)ethylcarbamoylamino]butanoic acid
CID 103996278
2-amino-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 22690352

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-N-[2-(3-methoxyphenyl)ethyl]butanamide?
The IUPAC name of 2-(hydroxymethyl)-N-[2-(3-methoxyphenyl)ethyl]butanamide (CID 115186724) is 2-(hydroxymethyl)-N-[2-(3-methoxyphenyl)ethyl]butanamide.
What is the SMILES notation for 2-(hydroxymethyl)-N-[2-(3-methoxyphenyl)ethyl]butanamide?
The canonical SMILES for 2-(hydroxymethyl)-N-[2-(3-methoxyphenyl)ethyl]butanamide is CCC(CO)C(=O)NCCc1cccc(OC)c1.
What is the InChIKey of 2-(hydroxymethyl)-N-[2-(3-methoxyphenyl)ethyl]butanamide?
The InChIKey is XIINUFOFBQDQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-3-12(10-16)14(17)15-8-7-11-5-4-6-13(9-11)18-2/h4-6,9,12,16H,3,7-8,10H2,1-2H3,(H,15,17).
What are the key properties of 2-(hydroxymethyl)-N-[2-(3-methoxyphenyl)ethyl]butanamide?
2-(hydroxymethyl)-N-[2-(3-methoxyphenyl)ethyl]butanamide has a molecular weight of 251.33 g/mol, XLogP of 1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-N-[2-(3-methoxyphenyl)ethyl]butanamide is sourced from PubChem (CID 115186724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).