N-butyl-2-hydroxy-2-phenylacetamide

C12H17NO2 — CID 15353717

IUPACN-butyl-2-hydroxy-2-phenylacetamide
SMILESCCCCNC(=O)C(O)c1ccccc1
InChIInChI=1S/C12H17NO2/c1-2-3-9-13-12(15)11(14)10-7-5-4-6-8-10/h4-8,11,14H,2-3,9H2,1H3,(H,13,15)
InChIKeyXLQJGMDTKYLYJK-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.64
Rot. Bonds5

About N-butyl-2-hydroxy-2-phenylacetamide

N-butyl-2-hydroxy-2-phenylacetamide (PubChem CID 15353717) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is N-butyl-2-hydroxy-2-phenylacetamide.

Molecular Properties

Compound NameN-butyl-2-hydroxy-2-phenylacetamide
PubChem CID15353717
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC NameN-butyl-2-hydroxy-2-phenylacetamide
SMILESCCCCNC(=O)C(O)c1ccccc1
InChIInChI=1S/C12H17NO2/c1-2-3-9-13-12(15)11(14)10-7-5-4-6-8-10/h4-8,11,14H,2-3,9H2,1H3,(H,13,15)
InChIKeyXLQJGMDTKYLYJK-UHFFFAOYSA-N
XLogP1.64
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-phenylpropanamide
CID 101453557
N'-butyl-2-phenylpropanediamide
CID 70180418
(2S)-2-hydroxy-2-phenyl-N-(2-phenylethyl)acetamide
CID 26793852
N,N'-dihexyl-2-phenylpropanediamide
CID 3396321
N-dodecyl-2,2-diphenylacetamide
CID 5143289
(2S)-2-hydroxy-4-[(2-hydroxy-2-phenylacetyl)amino]butanoic acid
CID 107834936
N-(cyanomethyl)-2-hydroxy-2-phenylacetamide
CID 103687126
N-(2-cyanoethyl)-2-hydroxy-2-phenylacetamide
CID 107168333
N-butyl-2-methyl-3-phenylpropanamide
CID 70830385
4-[(2-hydroxy-2-phenylacetyl)amino]-2-methylbutanoic acid
CID 80539222
3-amino-N-butyl-2-phenyl-3-sulfanylidenepropanamide
CID 62876860
(2S)-2-amino-N-decyl-2-phenylacetamide
CID 104898142

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-hydroxy-2-phenylacetamide?
The IUPAC name of N-butyl-2-hydroxy-2-phenylacetamide (CID 15353717) is N-butyl-2-hydroxy-2-phenylacetamide.
What is the SMILES notation for N-butyl-2-hydroxy-2-phenylacetamide?
The canonical SMILES for N-butyl-2-hydroxy-2-phenylacetamide is CCCCNC(=O)C(O)c1ccccc1.
What is the InChIKey of N-butyl-2-hydroxy-2-phenylacetamide?
The InChIKey is XLQJGMDTKYLYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-2-3-9-13-12(15)11(14)10-7-5-4-6-8-10/h4-8,11,14H,2-3,9H2,1H3,(H,13,15).
What are the key properties of N-butyl-2-hydroxy-2-phenylacetamide?
N-butyl-2-hydroxy-2-phenylacetamide has a molecular weight of 207.27 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-hydroxy-2-phenylacetamide is sourced from PubChem (CID 15353717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).