N-butan-2-yl-4-hydroxy-4-(4-methylphenyl)butanamide

C15H23NO2 — CID 112510379

IUPACN-butan-2-yl-4-hydroxy-4-(4-methylphenyl)butanamide
SMILESCCC(C)NC(=O)CCC(O)c1ccc(C)cc1
InChIInChI=1S/C15H23NO2/c1-4-12(3)16-15(18)10-9-14(17)13-7-5-11(2)6-8-13/h5-8,12,14,17H,4,9-10H2,1-3H3,(H,16,18)
InChIKeyRNPATVRBQCVYIG-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.72
Rot. Bonds6

About N-butan-2-yl-4-hydroxy-4-(4-methylphenyl)butanamide

N-butan-2-yl-4-hydroxy-4-(4-methylphenyl)butanamide (PubChem CID 112510379) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-butan-2-yl-4-hydroxy-4-(4-methylphenyl)butanamide.

Molecular Properties

Compound NameN-butan-2-yl-4-hydroxy-4-(4-methylphenyl)butanamide
PubChem CID112510379
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-butan-2-yl-4-hydroxy-4-(4-methylphenyl)butanamide
SMILESCCC(C)NC(=O)CCC(O)c1ccc(C)cc1
InChIInChI=1S/C15H23NO2/c1-4-12(3)16-15(18)10-9-14(17)13-7-5-11(2)6-8-13/h5-8,12,14,17H,4,9-10H2,1-3H3,(H,16,18)
InChIKeyRNPATVRBQCVYIG-UHFFFAOYSA-N
XLogP2.72
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-butan-2-yl-2-(4-methylphenyl)acetamide
CID 106151030
1-chloro-5-hydroxy-5-(4-methylphenyl)pentan-2-one
CID 147680290
1-(4-methylphenyl)-2-(pentan-2-ylamino)ethanol
CID 138485794
2-(4-methylphenyl)sulfanyl-N-pentan-2-ylacetamide
CID 2954459
ethane;1-(4-methylphenyl)butan-1-ol
CID 143727962
4-hydroxy-4-(4-methylphenyl)-1-phenylbutan-1-one
CID 132535803
N-butan-2-yl-3-[1-(3,4-dimethylphenyl)ethylamino]propanamide
CID 61022459
5-amino-N-[1-(4-methylphenyl)propyl]hexanamide
CID 82848237
N-[(2R)-butan-2-yl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 40613910
(1R)-1-(4-methylphenyl)propan-1-ol;propane
CID 144859103
N-[(2S)-butan-2-yl]-2-(2,4-dimethylphenyl)acetamide
CID 95875267
N-[(2S)-butan-2-yl]-3-(2-chlorophenyl)sulfanylpropanamide
CID 94336047

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-hydroxy-4-(4-methylphenyl)butanamide?
The IUPAC name of N-butan-2-yl-4-hydroxy-4-(4-methylphenyl)butanamide (CID 112510379) is N-butan-2-yl-4-hydroxy-4-(4-methylphenyl)butanamide.
What is the SMILES notation for N-butan-2-yl-4-hydroxy-4-(4-methylphenyl)butanamide?
The canonical SMILES for N-butan-2-yl-4-hydroxy-4-(4-methylphenyl)butanamide is CCC(C)NC(=O)CCC(O)c1ccc(C)cc1.
What is the InChIKey of N-butan-2-yl-4-hydroxy-4-(4-methylphenyl)butanamide?
The InChIKey is RNPATVRBQCVYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-4-12(3)16-15(18)10-9-14(17)13-7-5-11(2)6-8-13/h5-8,12,14,17H,4,9-10H2,1-3H3,(H,16,18).
What are the key properties of N-butan-2-yl-4-hydroxy-4-(4-methylphenyl)butanamide?
N-butan-2-yl-4-hydroxy-4-(4-methylphenyl)butanamide has a molecular weight of 249.35 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-hydroxy-4-(4-methylphenyl)butanamide is sourced from PubChem (CID 112510379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).