N-[(4-butan-2-ylphenyl)methyl]-2-hydroxy-2-methylpropanamide

C15H23NO2 — CID 115178737

IUPACN-[(4-butan-2-ylphenyl)methyl]-2-hydroxy-2-methylpropanamide
SMILESCCC(C)c1ccc(CNC(=O)C(C)(C)O)cc1
InChIInChI=1S/C15H23NO2/c1-5-11(2)13-8-6-12(7-9-13)10-16-14(17)15(3,4)18/h6-9,11,18H,5,10H2,1-4H3,(H,16,17)
InChIKeySXSPUPJHRKQYOG-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.59
Rot. Bonds5

About N-[(4-butan-2-ylphenyl)methyl]-2-hydroxy-2-methylpropanamide

N-[(4-butan-2-ylphenyl)methyl]-2-hydroxy-2-methylpropanamide (PubChem CID 115178737) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-[(4-butan-2-ylphenyl)methyl]-2-hydroxy-2-methylpropanamide.

Molecular Properties

Compound NameN-[(4-butan-2-ylphenyl)methyl]-2-hydroxy-2-methylpropanamide
PubChem CID115178737
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-[(4-butan-2-ylphenyl)methyl]-2-hydroxy-2-methylpropanamide
SMILESCCC(C)c1ccc(CNC(=O)C(C)(C)O)cc1
InChIInChI=1S/C15H23NO2/c1-5-11(2)13-8-6-12(7-9-13)10-16-14(17)15(3,4)18/h6-9,11,18H,5,10H2,1-4H3,(H,16,17)
InChIKeySXSPUPJHRKQYOG-UHFFFAOYSA-N
XLogP2.59
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[(4-butan-2-ylphenyl)methyl]-3-methylbutanamide
CID 115154967
2-[(4-butan-2-ylphenyl)methylamino]-2-oxoacetic acid
CID 115141302
1-[(4-butan-2-ylphenyl)methyl]-3-propylurea
CID 110774875
N-[(4-bromophenyl)methyl]-2-hydroxy-2-methylpropanamide
CID 104936890
N-[(4-butan-2-ylphenyl)methyl]-3-sulfanylpropanamide
CID 115167832
1-(4-butan-2-ylphenyl)-2-methylpropan-2-ol
CID 82126479
N-[(4-butan-2-ylphenyl)methyl]pyridine-3-carboxamide
CID 110780451
2-hydroxy-2-methyl-N-[(1-methylpyrrol-3-yl)methyl]propanamide
CID 106509800
2-hydroxy-N-[(4-methoxy-3-propan-2-ylphenyl)methyl]-2-methylpropanamide
CID 115178740
2-amino-3,3,3-trifluoro-2-methyl-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 79811205
N-[(4-butan-2-ylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110793549
N-[(4-butan-2-ylphenyl)methyl]oxolane-2-carboxamide
CID 110780449

Frequently Asked Questions

What is the IUPAC name of N-[(4-butan-2-ylphenyl)methyl]-2-hydroxy-2-methylpropanamide?
The IUPAC name of N-[(4-butan-2-ylphenyl)methyl]-2-hydroxy-2-methylpropanamide (CID 115178737) is N-[(4-butan-2-ylphenyl)methyl]-2-hydroxy-2-methylpropanamide.
What is the SMILES notation for N-[(4-butan-2-ylphenyl)methyl]-2-hydroxy-2-methylpropanamide?
The canonical SMILES for N-[(4-butan-2-ylphenyl)methyl]-2-hydroxy-2-methylpropanamide is CCC(C)c1ccc(CNC(=O)C(C)(C)O)cc1.
What is the InChIKey of N-[(4-butan-2-ylphenyl)methyl]-2-hydroxy-2-methylpropanamide?
The InChIKey is SXSPUPJHRKQYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-5-11(2)13-8-6-12(7-9-13)10-16-14(17)15(3,4)18/h6-9,11,18H,5,10H2,1-4H3,(H,16,17).
What are the key properties of N-[(4-butan-2-ylphenyl)methyl]-2-hydroxy-2-methylpropanamide?
N-[(4-butan-2-ylphenyl)methyl]-2-hydroxy-2-methylpropanamide has a molecular weight of 249.35 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-butan-2-ylphenyl)methyl]-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 115178737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).