4-hydroxy-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide

C15H23NO2 — CID 94689915

IUPAC4-hydroxy-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide
SMILESCC(C)c1ccc(CCNC(=O)CCCO)cc1
InChIInChI=1S/C15H23NO2/c1-12(2)14-7-5-13(6-8-14)9-10-16-15(18)4-3-11-17/h5-8,12,17H,3-4,9-11H2,1-2H3,(H,16,18)
InChIKeySFZUVOUDUJVAQY-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.24
Rot. Bonds7

About 4-hydroxy-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide

4-hydroxy-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide (PubChem CID 94689915) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 4-hydroxy-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide.

Molecular Properties

Compound Name4-hydroxy-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide
PubChem CID94689915
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name4-hydroxy-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide
SMILESCC(C)c1ccc(CCNC(=O)CCCO)cc1
InChIInChI=1S/C15H23NO2/c1-12(2)14-7-5-13(6-8-14)9-10-16-15(18)4-3-11-17/h5-8,12,17H,3-4,9-11H2,1-2H3,(H,16,18)
InChIKeySFZUVOUDUJVAQY-UHFFFAOYSA-N
XLogP2.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-acetamido-N-[2-(4-propan-2-ylphenyl)ethyl]propanamide
CID 47098552
3-[4-(4-propan-2-ylphenyl)butanoylamino]propanoic acid
CID 82224317
4-hydroxy-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 79017762
3-amino-N-[3-(4-propan-2-ylphenyl)propyl]propanamide;hydrochloride
CID 119322586
N-(3-hydroxypropyl)-4-(4-propan-2-ylphenoxy)butanamide
CID 110487301
N-[2-(ethylamino)ethyl]-3-(4-propan-2-ylphenyl)propanamide
CID 119509353
4-bromo-N-[3-oxo-3-[2-(4-propan-2-ylphenyl)ethylamino]propyl]benzamide
CID 24683750
2-amino-N-[3-(4-propan-2-ylphenyl)propyl]acetamide;hydrochloride
CID 119322588
N-[2-(4-aminophenyl)ethyl]-N'-propan-2-ylpentanediamide;hydrochloride
CID 119548257
4-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide
CID 7974357
2-(4-aminophenyl)-N-[3-(4-propan-2-ylphenyl)propyl]acetamide
CID 119781845
4-[2-(4-propan-2-yloxybutanoylamino)ethyl]benzoic acid
CID 120684378

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide?
The IUPAC name of 4-hydroxy-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide (CID 94689915) is 4-hydroxy-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide.
What is the SMILES notation for 4-hydroxy-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide?
The canonical SMILES for 4-hydroxy-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide is CC(C)c1ccc(CCNC(=O)CCCO)cc1.
What is the InChIKey of 4-hydroxy-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide?
The InChIKey is SFZUVOUDUJVAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-12(2)14-7-5-13(6-8-14)9-10-16-15(18)4-3-11-17/h5-8,12,17H,3-4,9-11H2,1-2H3,(H,16,18).
What are the key properties of 4-hydroxy-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide?
4-hydroxy-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide has a molecular weight of 249.35 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide is sourced from PubChem (CID 94689915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).