N-[(4-butan-2-ylphenyl)methyl]-3-hydroxy-N-methylpropanamide

C15H23NO2 — CID 115139144

IUPACN-[(4-butan-2-ylphenyl)methyl]-3-hydroxy-N-methylpropanamide
SMILESCCC(C)c1ccc(CN(C)C(=O)CCO)cc1
InChIInChI=1S/C15H23NO2/c1-4-12(2)14-7-5-13(6-8-14)11-16(3)15(18)9-10-17/h5-8,12,17H,4,9-11H2,1-3H3
InChIKeyNNRJMUITTIKCRX-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.54
Rot. Bonds6

About N-[(4-butan-2-ylphenyl)methyl]-3-hydroxy-N-methylpropanamide

N-[(4-butan-2-ylphenyl)methyl]-3-hydroxy-N-methylpropanamide (PubChem CID 115139144) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-[(4-butan-2-ylphenyl)methyl]-3-hydroxy-N-methylpropanamide.

Molecular Properties

Compound NameN-[(4-butan-2-ylphenyl)methyl]-3-hydroxy-N-methylpropanamide
PubChem CID115139144
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-[(4-butan-2-ylphenyl)methyl]-3-hydroxy-N-methylpropanamide
SMILESCCC(C)c1ccc(CN(C)C(=O)CCO)cc1
InChIInChI=1S/C15H23NO2/c1-4-12(2)14-7-5-13(6-8-14)11-16(3)15(18)9-10-17/h5-8,12,17H,4,9-11H2,1-3H3
InChIKeyNNRJMUITTIKCRX-UHFFFAOYSA-N
XLogP2.54
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-butan-2-ylphenyl)-3-hydroxy-N-methylpropanamide
CID 115138838
3-hydroxy-N-methyl-N-[(4-propylphenyl)methyl]propanamide
CID 115139143
N-[(4-butan-2-ylphenyl)methyl]-N-methyl-2-oxoacetamide
CID 115166354
[(4-butan-2-ylphenyl)methyl-methylamino]methanol
CID 115229112
3-hydroxy-N-methyl-N-[(4-methylsulfanylphenyl)methyl]propanamide
CID 115139196
2-[(4-butan-2-ylphenyl)methyl-methylamino]acetamide
CID 115259965
N-[(4-ethylphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 82126542
N-[(3,4-difluorophenyl)methyl]-3-hydroxy-N-methylpropanamide
CID 115139161
3-cyano-N-methyl-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 94688472
N-[(4-butan-2-ylphenyl)methyl]-2-chloro-N-methylethanamine
CID 115214911
N-[2-(4-butan-2-ylphenyl)ethyl]-N-methylcarbamoyl bromide
CID 115194057
2-(4-butan-2-ylphenyl)ethyl-methylcarbamothioic S-acid
CID 115170394

Frequently Asked Questions

What is the IUPAC name of N-[(4-butan-2-ylphenyl)methyl]-3-hydroxy-N-methylpropanamide?
The IUPAC name of N-[(4-butan-2-ylphenyl)methyl]-3-hydroxy-N-methylpropanamide (CID 115139144) is N-[(4-butan-2-ylphenyl)methyl]-3-hydroxy-N-methylpropanamide.
What is the SMILES notation for N-[(4-butan-2-ylphenyl)methyl]-3-hydroxy-N-methylpropanamide?
The canonical SMILES for N-[(4-butan-2-ylphenyl)methyl]-3-hydroxy-N-methylpropanamide is CCC(C)c1ccc(CN(C)C(=O)CCO)cc1.
What is the InChIKey of N-[(4-butan-2-ylphenyl)methyl]-3-hydroxy-N-methylpropanamide?
The InChIKey is NNRJMUITTIKCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-4-12(2)14-7-5-13(6-8-14)11-16(3)15(18)9-10-17/h5-8,12,17H,4,9-11H2,1-3H3.
What are the key properties of N-[(4-butan-2-ylphenyl)methyl]-3-hydroxy-N-methylpropanamide?
N-[(4-butan-2-ylphenyl)methyl]-3-hydroxy-N-methylpropanamide has a molecular weight of 249.35 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-butan-2-ylphenyl)methyl]-3-hydroxy-N-methylpropanamide is sourced from PubChem (CID 115139144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).