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

C14H21NO3 — CID 111433002

IUPACN-[4-(2-hydroxy-2-methylpropoxy)phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(OCC(C)(C)O)cc1
InChIInChI=1S/C14H21NO3/c1-10(2)13(16)15-11-5-7-12(8-6-11)18-9-14(3,4)17/h5-8,10,17H,9H2,1-4H3,(H,15,16)
InChIKeyIENVTXXQEOYGQY-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.43
Rot. Bonds5

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

N-[4-(2-hydroxy-2-methylpropoxy)phenyl]-2-methylpropanamide (PubChem CID 111433002) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[4-(2-hydroxy-2-methylpropoxy)phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-(2-hydroxy-2-methylpropoxy)phenyl]-2-methylpropanamide
PubChem CID111433002
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC NameN-[4-(2-hydroxy-2-methylpropoxy)phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(OCC(C)(C)O)cc1
InChIInChI=1S/C14H21NO3/c1-10(2)13(16)15-11-5-7-12(8-6-11)18-9-14(3,4)17/h5-8,10,17H,9H2,1-4H3,(H,15,16)
InChIKeyIENVTXXQEOYGQY-UHFFFAOYSA-N
XLogP2.43
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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-[4-(2-hydroxy-2-methylpropoxy)phenyl]acetamide
CID 60879910
N-[4-[2-(4-tert-butylphenoxy)ethoxy]phenyl]-2-methylpropanamide
CID 163343246
N-[4-(2-methylpropanoylamino)phenyl]-4-(2,2,2-trifluoroethoxy)benzamide
CID 55606042
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-methylpropanamide
CID 32943144
N-(4-ethoxyphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide
CID 111750477
2-methyl-N-[4-[[2-[4-(3-methylbutoxy)anilino]-2-oxoethyl]amino]phenyl]propanamide
CID 54830470
2-methyl-N-[4-[[2-oxo-2-[4-(2-phenoxyethoxy)anilino]ethyl]amino]phenyl]propanamide
CID 54830534
2-methyl-N-[4-[[2-(4-propoxyphenoxy)acetyl]amino]phenyl]propanamide
CID 26907045
N-[4-[[2-(4-acetylphenoxy)acetyl]amino]phenyl]-2-methylpropanamide
CID 26907063
3,3-dimethyl-N-[4-(2-methylpropanoylamino)phenyl]butanamide
CID 26907229
N-[4-[3-(4-acetamidophenoxy)-2-[(4-acetamidophenoxy)methyl]-2-hydroxypropoxy]phenyl]acetamide;hydrate
CID 139075586
2-methyl-N-[4-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]phenyl]propanamide
CID 115950293

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-hydroxy-2-methylpropoxy)phenyl]-2-methylpropanamide?
The IUPAC name of N-[4-(2-hydroxy-2-methylpropoxy)phenyl]-2-methylpropanamide (CID 111433002) is N-[4-(2-hydroxy-2-methylpropoxy)phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-(2-hydroxy-2-methylpropoxy)phenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-(2-hydroxy-2-methylpropoxy)phenyl]-2-methylpropanamide is CC(C)C(=O)Nc1ccc(OCC(C)(C)O)cc1.
What is the InChIKey of N-[4-(2-hydroxy-2-methylpropoxy)phenyl]-2-methylpropanamide?
The InChIKey is IENVTXXQEOYGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-10(2)13(16)15-11-5-7-12(8-6-11)18-9-14(3,4)17/h5-8,10,17H,9H2,1-4H3,(H,15,16).
What are the key properties of N-[4-(2-hydroxy-2-methylpropoxy)phenyl]-2-methylpropanamide?
N-[4-(2-hydroxy-2-methylpropoxy)phenyl]-2-methylpropanamide has a molecular weight of 251.33 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-hydroxy-2-methylpropoxy)phenyl]-2-methylpropanamide is sourced from PubChem (CID 111433002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).