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

C13H19NO3 — CID 112510090

IUPACN-[2-hydroxy-2-(3-methoxyphenyl)ethyl]butanamide
SMILESCCCC(=O)NCC(O)c1cccc(OC)c1
InChIInChI=1S/C13H19NO3/c1-3-5-13(16)14-9-12(15)10-6-4-7-11(8-10)17-2/h4,6-8,12,15H,3,5,9H2,1-2H3,(H,14,16)
InChIKeyJZFMEJVFNJMZPI-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.64
Rot. Bonds6

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

N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]butanamide (PubChem CID 112510090) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]butanamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(3-methoxyphenyl)ethyl]butanamide
PubChem CID112510090
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC NameN-[2-hydroxy-2-(3-methoxyphenyl)ethyl]butanamide
SMILESCCCC(=O)NCC(O)c1cccc(OC)c1
InChIInChI=1S/C13H19NO3/c1-3-5-13(16)14-9-12(15)10-6-4-7-11(8-10)17-2/h4,6-8,12,15H,3,5,9H2,1-2H3,(H,14,16)
InChIKeyJZFMEJVFNJMZPI-UHFFFAOYSA-N
XLogP1.64
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4,4-dimethylpentanamide
CID 111437211
methyl N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]carbamate
CID 110663358
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-(methylamino)acetamide
CID 119765490
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-3-(2-methylphenyl)propanamide
CID 110663371
3-(4-fluorophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]propanamide
CID 110663372
3-(4-chlorophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]propanamide
CID 111115447
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-(4-methylphenyl)acetamide
CID 110663377
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4-thiophen-2-ylbutanamide
CID 111115545
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-naphthalen-2-ylacetamide
CID 111115615
N-[(1S)-1-(3-methoxyphenyl)ethyl]butanamide
CID 40636094
1-(3-methoxyphenyl)-2-(propylamino)ethanol
CID 15006474
1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-3-(3-methylpentan-2-yl)urea
CID 111115210

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]butanamide?
The IUPAC name of N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]butanamide (CID 112510090) is N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]butanamide.
What is the SMILES notation for N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]butanamide?
The canonical SMILES for N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]butanamide is CCCC(=O)NCC(O)c1cccc(OC)c1.
What is the InChIKey of N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]butanamide?
The InChIKey is JZFMEJVFNJMZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-3-5-13(16)14-9-12(15)10-6-4-7-11(8-10)17-2/h4,6-8,12,15H,3,5,9H2,1-2H3,(H,14,16).
What are the key properties of N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]butanamide?
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]butanamide has a molecular weight of 237.30 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]butanamide is sourced from PubChem (CID 112510090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).