N-butyl-N-(2-hydroxyethyl)-2-(2-hydroxyphenyl)acetamide

C14H21NO3 — CID 80741482

IUPACN-butyl-N-(2-hydroxyethyl)-2-(2-hydroxyphenyl)acetamide
SMILESCCCCN(CCO)C(=O)Cc1ccccc1O
InChIInChI=1S/C14H21NO3/c1-2-3-8-15(9-10-16)14(18)11-12-6-4-5-7-13(12)17/h4-7,16-17H,2-3,8-11H2,1H3
InChIKeyDCUPHSDVFUVEPP-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.56
Rot. Bonds7

About N-butyl-N-(2-hydroxyethyl)-2-(2-hydroxyphenyl)acetamide

N-butyl-N-(2-hydroxyethyl)-2-(2-hydroxyphenyl)acetamide (PubChem CID 80741482) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-butyl-N-(2-hydroxyethyl)-2-(2-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-butyl-N-(2-hydroxyethyl)-2-(2-hydroxyphenyl)acetamide
PubChem CID80741482
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC NameN-butyl-N-(2-hydroxyethyl)-2-(2-hydroxyphenyl)acetamide
SMILESCCCCN(CCO)C(=O)Cc1ccccc1O
InChIInChI=1S/C14H21NO3/c1-2-3-8-15(9-10-16)14(18)11-12-6-4-5-7-13(12)17/h4-7,16-17H,2-3,8-11H2,1H3
InChIKeyDCUPHSDVFUVEPP-UHFFFAOYSA-N
XLogP1.56
TPSA60.77 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 ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dibutyl-2-(2-hydroxyphenyl)acetamide
CID 78916820
N-(2-hydroxyethyl)-2-(2-methylphenyl)-N-propylacetamide
CID 60656670
N-butyl-N-(2-hydroxyethyl)-2-(4-sulfanylphenyl)acetamide
CID 107024746
N-(2-aminoethyl)-N-butyl-2-(2-fluorophenyl)acetamide
CID 63756056
2-anilino-N-butyl-N-(2-hydroxyethyl)acetamide
CID 54870892
N-butyl-N-ethyl-2-(2-fluorophenyl)acetamide
CID 86976336
2-[2-(aminomethyl)phenyl]-N-butyl-N-ethylacetamide
CID 81317798
N-butyl-N-(2-hydroxyethyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 60742837
N-(cyanomethyl)-2-(2-hydroxyphenyl)-N-propylacetamide
CID 80741251
N,N-bis(2-hydroxyethyl)-2-naphthalen-1-ylacetamide
CID 60653051
2-(2-hydroxyphenyl)-N-[2-(methylamino)-2-oxoethyl]-N-propylacetamide
CID 78916891
2-amino-N-butyl-N-(2-hydroxyethyl)-2-phenylacetamide
CID 54870866

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(2-hydroxyethyl)-2-(2-hydroxyphenyl)acetamide?
The IUPAC name of N-butyl-N-(2-hydroxyethyl)-2-(2-hydroxyphenyl)acetamide (CID 80741482) is N-butyl-N-(2-hydroxyethyl)-2-(2-hydroxyphenyl)acetamide.
What is the SMILES notation for N-butyl-N-(2-hydroxyethyl)-2-(2-hydroxyphenyl)acetamide?
The canonical SMILES for N-butyl-N-(2-hydroxyethyl)-2-(2-hydroxyphenyl)acetamide is CCCCN(CCO)C(=O)Cc1ccccc1O.
What is the InChIKey of N-butyl-N-(2-hydroxyethyl)-2-(2-hydroxyphenyl)acetamide?
The InChIKey is DCUPHSDVFUVEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-2-3-8-15(9-10-16)14(18)11-12-6-4-5-7-13(12)17/h4-7,16-17H,2-3,8-11H2,1H3.
What are the key properties of N-butyl-N-(2-hydroxyethyl)-2-(2-hydroxyphenyl)acetamide?
N-butyl-N-(2-hydroxyethyl)-2-(2-hydroxyphenyl)acetamide has a molecular weight of 251.33 g/mol, XLogP of 1.56, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(2-hydroxyethyl)-2-(2-hydroxyphenyl)acetamide is sourced from PubChem (CID 80741482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).