4-hydroxy-N-[2-(2-methylpropoxy)phenyl]butanamide

C14H21NO3 — CID 79203312

IUPAC4-hydroxy-N-[2-(2-methylpropoxy)phenyl]butanamide
SMILESCC(C)COc1ccccc1NC(=O)CCCO
InChIInChI=1S/C14H21NO3/c1-11(2)10-18-13-7-4-3-6-12(13)15-14(17)8-5-9-16/h3-4,6-7,11,16H,5,8-10H2,1-2H3,(H,15,17)
InChIKeySHTNITHCIGABTJ-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.43
Rot. Bonds7

About 4-hydroxy-N-[2-(2-methylpropoxy)phenyl]butanamide

4-hydroxy-N-[2-(2-methylpropoxy)phenyl]butanamide (PubChem CID 79203312) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-hydroxy-N-[2-(2-methylpropoxy)phenyl]butanamide.

Molecular Properties

Compound Name4-hydroxy-N-[2-(2-methylpropoxy)phenyl]butanamide
PubChem CID79203312
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name4-hydroxy-N-[2-(2-methylpropoxy)phenyl]butanamide
SMILESCC(C)COc1ccccc1NC(=O)CCCO
InChIInChI=1S/C14H21NO3/c1-11(2)10-18-13-7-4-3-6-12(13)15-14(17)8-5-9-16/h3-4,6-7,11,16H,5,8-10H2,1-2H3,(H,15,17)
InChIKeySHTNITHCIGABTJ-UHFFFAOYSA-N
XLogP2.43
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N'-bis[2-(2-methylpropoxy)phenyl]hexanediamide
CID 17074524
N,N'-bis[2-(2-methylpropoxy)phenyl]nonanediamide
CID 17074526
4-(methylamino)-N-[2-(2-methylpropoxy)phenyl]butanamide;hydrochloride
CID 119714822
3-(2-chlorophenyl)-N-[2-(2-methylpropoxy)phenyl]propanamide
CID 17179049
2-(2-methoxyanilino)-N-[2-(2-methylpropoxy)phenyl]acetamide
CID 54817214
(2S)-2-amino-N-[2-(2-methylpropoxy)phenyl]propanamide
CID 93360503
2-(2-aminoethoxy)-N-[2-(2-methylpropoxy)phenyl]acetamide
CID 79474018
N-[2-(2,2-difluoroethoxy)phenyl]-4-(methylamino)butanamide
CID 119814465
2-(3-methoxypropylamino)-N-[2-(2-methylpropoxy)phenyl]acetamide
CID 54829121
2-(2,3-dimethylanilino)-N-[2-(2-methylpropoxy)phenyl]acetamide
CID 54815991
2-(4-bromophenoxy)-N-[2-(2-methylpropoxy)phenyl]acetamide
CID 17074248
N,N'-bis(2-butoxyphenyl)hexanediamide
CID 17087317

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[2-(2-methylpropoxy)phenyl]butanamide?
The IUPAC name of 4-hydroxy-N-[2-(2-methylpropoxy)phenyl]butanamide (CID 79203312) is 4-hydroxy-N-[2-(2-methylpropoxy)phenyl]butanamide.
What is the SMILES notation for 4-hydroxy-N-[2-(2-methylpropoxy)phenyl]butanamide?
The canonical SMILES for 4-hydroxy-N-[2-(2-methylpropoxy)phenyl]butanamide is CC(C)COc1ccccc1NC(=O)CCCO.
What is the InChIKey of 4-hydroxy-N-[2-(2-methylpropoxy)phenyl]butanamide?
The InChIKey is SHTNITHCIGABTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-11(2)10-18-13-7-4-3-6-12(13)15-14(17)8-5-9-16/h3-4,6-7,11,16H,5,8-10H2,1-2H3,(H,15,17).
What are the key properties of 4-hydroxy-N-[2-(2-methylpropoxy)phenyl]butanamide?
4-hydroxy-N-[2-(2-methylpropoxy)phenyl]butanamide has a molecular weight of 251.33 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[2-(2-methylpropoxy)phenyl]butanamide is sourced from PubChem (CID 79203312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).