N-(4-butan-2-ylphenyl)-3-hydroxy-N-methylpropanamide

C14H21NO2 — CID 115138838

IUPACN-(4-butan-2-ylphenyl)-3-hydroxy-N-methylpropanamide
SMILESCCC(C)c1ccc(N(C)C(=O)CCO)cc1
InChIInChI=1S/C14H21NO2/c1-4-11(2)12-5-7-13(8-6-12)15(3)14(17)9-10-16/h5-8,11,16H,4,9-10H2,1-3H3
InChIKeyPXGNVJFDJGTPFB-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.55
Rot. Bonds5

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

N-(4-butan-2-ylphenyl)-3-hydroxy-N-methylpropanamide (PubChem CID 115138838) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-(4-butan-2-ylphenyl)-3-hydroxy-N-methylpropanamide.

Molecular Properties

Compound NameN-(4-butan-2-ylphenyl)-3-hydroxy-N-methylpropanamide
PubChem CID115138838
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-(4-butan-2-ylphenyl)-3-hydroxy-N-methylpropanamide
SMILESCCC(C)c1ccc(N(C)C(=O)CCO)cc1
InChIInChI=1S/C14H21NO2/c1-4-11(2)12-5-7-13(8-6-12)15(3)14(17)9-10-16/h5-8,11,16H,4,9-10H2,1-3H3
InChIKeyPXGNVJFDJGTPFB-UHFFFAOYSA-N
XLogP2.55
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-butan-2-ylphenyl)-2-(ethylamino)-N-methylacetamide
CID 115157760
N-[(4-butan-2-ylphenyl)methyl]-3-hydroxy-N-methylpropanamide
CID 115139144
3-hydroxy-N-methyl-N-phenylpropanamide
CID 82111467
3-hydroxy-N-methyl-N-pyridin-4-ylpropanamide
CID 90892089
3-(4-butan-2-yl-N-methylanilino)propan-1-ol
CID 115216712
N-methyl-N-(4-propan-2-ylphenyl)-2-sulfanylacetamide
CID 115166992
7-amino-N-methyl-N-(4-propan-2-ylphenyl)heptanamide
CID 119807713
2-(ethylamino)-N-methyl-N-(4-propan-2-ylphenyl)acetamide
CID 115157740
N-(4-butan-2-ylphenyl)-4-propan-2-yl-N-(4-propan-2-ylphenyl)aniline;ethane
CID 143909835
N-(4-tert-butylphenyl)-4-hydroxy-N-methylbutanamide
CID 115162843
2-[methyl-(4-propan-2-ylphenyl)carbamoyl]butanoic acid
CID 115185890
(3S)-3-(4-fluorophenyl)-N-methyl-N-phenylbutanamide
CID 100920350

Frequently Asked Questions

What is the IUPAC name of N-(4-butan-2-ylphenyl)-3-hydroxy-N-methylpropanamide?
The IUPAC name of N-(4-butan-2-ylphenyl)-3-hydroxy-N-methylpropanamide (CID 115138838) is N-(4-butan-2-ylphenyl)-3-hydroxy-N-methylpropanamide.
What is the SMILES notation for N-(4-butan-2-ylphenyl)-3-hydroxy-N-methylpropanamide?
The canonical SMILES for N-(4-butan-2-ylphenyl)-3-hydroxy-N-methylpropanamide is CCC(C)c1ccc(N(C)C(=O)CCO)cc1.
What is the InChIKey of N-(4-butan-2-ylphenyl)-3-hydroxy-N-methylpropanamide?
The InChIKey is PXGNVJFDJGTPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-11(2)12-5-7-13(8-6-12)15(3)14(17)9-10-16/h5-8,11,16H,4,9-10H2,1-3H3.
What are the key properties of N-(4-butan-2-ylphenyl)-3-hydroxy-N-methylpropanamide?
N-(4-butan-2-ylphenyl)-3-hydroxy-N-methylpropanamide has a molecular weight of 235.33 g/mol, XLogP of 2.55, 5 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)-3-hydroxy-N-methylpropanamide is sourced from PubChem (CID 115138838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).