N-[5-[(2S)-butan-2-yl]-2-hydroxyphenyl]-2-(4-methylphenoxy)acetamide

C19H23NO3 — CID 40553112

IUPACN-[5-[(2S)-butan-2-yl]-2-hydroxyphenyl]-2-(4-methylphenoxy)acetamide
SMILESCC[C@H](C)c1ccc(O)c(NC(=O)COc2ccc(C)cc2)c1
InChIInChI=1S/C19H23NO3/c1-4-14(3)15-7-10-18(21)17(11-15)20-19(22)12-23-16-8-5-13(2)6-9-16/h5-11,14,21H,4,12H2,1-3H3,(H,20,22)/t14-/m0/s1
InChIKeyDSAWCNBXSKDHII-AWEZNQCLSA-N
MW313.40 g/mol
LogP4.23
Rot. Bonds6

About N-[5-[(2S)-butan-2-yl]-2-hydroxyphenyl]-2-(4-methylphenoxy)acetamide

N-[5-[(2S)-butan-2-yl]-2-hydroxyphenyl]-2-(4-methylphenoxy)acetamide (PubChem CID 40553112) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[5-[(2S)-butan-2-yl]-2-hydroxyphenyl]-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[5-[(2S)-butan-2-yl]-2-hydroxyphenyl]-2-(4-methylphenoxy)acetamide
PubChem CID40553112
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC NameN-[5-[(2S)-butan-2-yl]-2-hydroxyphenyl]-2-(4-methylphenoxy)acetamide
SMILESCC[C@H](C)c1ccc(O)c(NC(=O)COc2ccc(C)cc2)c1
InChIInChI=1S/C19H23NO3/c1-4-14(3)15-7-10-18(21)17(11-15)20-19(22)12-23-16-8-5-13(2)6-9-16/h5-11,14,21H,4,12H2,1-3H3,(H,20,22)/t14-/m0/s1
InChIKeyDSAWCNBXSKDHII-AWEZNQCLSA-N
XLogP4.23
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(4-butan-2-yl-2-hydroxyphenyl)-2-(4-methylphenoxy)acetamide
CID 21209219
N-[4-[(2R)-butan-2-yl]-2-hydroxyphenyl]-2-(4-methoxyphenoxy)acetamide
CID 6544251
N-(4-butan-2-yl-2-hydroxyphenyl)-2-(4-ethylphenoxy)acetamide
CID 4623052
N-(5-chloro-2-hydroxyphenyl)-2-(4-methylphenoxy)acetamide
CID 836090
N-[(5-butan-2-yl-2-hydroxyphenyl)carbamothioyl]-2-(3-methylphenoxy)acetamide
CID 2904906
2-(4-butan-2-ylphenoxy)-N-(4-iodo-2,5-dimethylphenyl)acetamide
CID 22780659
N-(2-hydroxy-5-methylphenyl)-2-(4-methoxyphenoxy)acetamide
CID 883490
2-(4-fluorophenoxy)-N-(2-hydroxy-5-methylphenyl)acetamide
CID 894086
2-[4-[(2R)-butan-2-yl]phenoxy]-N-(2-fluoro-4-iodophenyl)acetamide
CID 2210153
2-[4-[(2R)-butan-2-yl]phenoxy]-N-[2-[(2R)-butan-2-yl]phenyl]acetamide
CID 918611
2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2,5-dichlorophenyl)acetamide
CID 40666697
2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2,4-dimethoxyphenyl)acetamide
CID 969414

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2S)-butan-2-yl]-2-hydroxyphenyl]-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-[5-[(2S)-butan-2-yl]-2-hydroxyphenyl]-2-(4-methylphenoxy)acetamide (CID 40553112) is N-[5-[(2S)-butan-2-yl]-2-hydroxyphenyl]-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-[5-[(2S)-butan-2-yl]-2-hydroxyphenyl]-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-[5-[(2S)-butan-2-yl]-2-hydroxyphenyl]-2-(4-methylphenoxy)acetamide is CC[C@H](C)c1ccc(O)c(NC(=O)COc2ccc(C)cc2)c1.
What is the InChIKey of N-[5-[(2S)-butan-2-yl]-2-hydroxyphenyl]-2-(4-methylphenoxy)acetamide?
The InChIKey is DSAWCNBXSKDHII-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H23NO3/c1-4-14(3)15-7-10-18(21)17(11-15)20-19(22)12-23-16-8-5-13(2)6-9-16/h5-11,14,21H,4,12H2,1-3H3,(H,20,22)/t14-/m0/s1.
What are the key properties of N-[5-[(2S)-butan-2-yl]-2-hydroxyphenyl]-2-(4-methylphenoxy)acetamide?
N-[5-[(2S)-butan-2-yl]-2-hydroxyphenyl]-2-(4-methylphenoxy)acetamide has a molecular weight of 313.40 g/mol, XLogP of 4.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2S)-butan-2-yl]-2-hydroxyphenyl]-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 40553112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).