N-[2-(1-hydroxyethyl)phenyl]butanamide

C12H17NO2 — CID 43508507

IUPACN-[2-(1-hydroxyethyl)phenyl]butanamide
SMILESCCCC(=O)Nc1ccccc1C(C)O
InChIInChI=1S/C12H17NO2/c1-3-6-12(15)13-11-8-5-4-7-10(11)9(2)14/h4-5,7-9,14H,3,6H2,1-2H3,(H,13,15)
InChIKeyJBDGSZMYKLJKNM-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.48
Rot. Bonds4

About N-[2-(1-hydroxyethyl)phenyl]butanamide

N-[2-(1-hydroxyethyl)phenyl]butanamide (PubChem CID 43508507) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is N-[2-(1-hydroxyethyl)phenyl]butanamide.

Molecular Properties

Compound NameN-[2-(1-hydroxyethyl)phenyl]butanamide
PubChem CID43508507
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC NameN-[2-(1-hydroxyethyl)phenyl]butanamide
SMILESCCCC(=O)Nc1ccccc1C(C)O
InChIInChI=1S/C12H17NO2/c1-3-6-12(15)13-11-8-5-4-7-10(11)9(2)14/h4-5,7-9,14H,3,6H2,1-2H3,(H,13,15)
InChIKeyJBDGSZMYKLJKNM-UHFFFAOYSA-N
XLogP2.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(1-hydroxyethyl)phenyl]-3-phenoxypropanamide
CID 43508522
2-acetamido-N-[2-(1-hydroxyethyl)phenyl]acetamide
CID 54963204
N-(2-propan-2-ylphenyl)propanamide
CID 723442
N-[2-(2-methylpropyl)phenyl]butanamide
CID 130436413
ethane;N-(2-hydroxyphenyl)butanamide
CID 142538893
N-[2-(1-chloroethyl)phenyl]hexanamide
CID 114304795
2-(2-fluorophenyl)-N-[2-(1-hydroxyethyl)phenyl]acetamide
CID 43508486
N-[2-(bromomethyl)phenyl]butanamide
CID 70105715
2-amino-2-ethyl-N-[2-(1-hydroxyethyl)phenyl]butanamide
CID 79813414
N-[2-(1-hydroxyethyl)phenyl]-2,2-dimethylbutanamide
CID 55103349
N-[2-(1-hydroxyethyl)phenyl]-2-(prop-2-ynylamino)acetamide
CID 79287334
N-(2-fluorophenyl)butanamide
CID 849021

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-hydroxyethyl)phenyl]butanamide?
The IUPAC name of N-[2-(1-hydroxyethyl)phenyl]butanamide (CID 43508507) is N-[2-(1-hydroxyethyl)phenyl]butanamide.
What is the SMILES notation for N-[2-(1-hydroxyethyl)phenyl]butanamide?
The canonical SMILES for N-[2-(1-hydroxyethyl)phenyl]butanamide is CCCC(=O)Nc1ccccc1C(C)O.
What is the InChIKey of N-[2-(1-hydroxyethyl)phenyl]butanamide?
The InChIKey is JBDGSZMYKLJKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-3-6-12(15)13-11-8-5-4-7-10(11)9(2)14/h4-5,7-9,14H,3,6H2,1-2H3,(H,13,15).
What are the key properties of N-[2-(1-hydroxyethyl)phenyl]butanamide?
N-[2-(1-hydroxyethyl)phenyl]butanamide has a molecular weight of 207.27 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-hydroxyethyl)phenyl]butanamide is sourced from PubChem (CID 43508507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).