N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-3-(2-methylprop-2-enoxy)benzamide

C21H25NO3 — CID 54856661

IUPACN-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-3-(2-methylprop-2-enoxy)benzamide
SMILESC=C(C)COc1cccc(C(=O)N(C)C(C)C(O)c2ccccc2)c1
InChIInChI=1S/C21H25NO3/c1-15(2)14-25-19-12-8-11-18(13-19)21(24)22(4)16(3)20(23)17-9-6-5-7-10-17/h5-13,16,20,23H,1,14H2,2-4H3
InChIKeyQWHOHXOJMWJGLY-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.84
Rot. Bonds7

About N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-3-(2-methylprop-2-enoxy)benzamide

N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-3-(2-methylprop-2-enoxy)benzamide (PubChem CID 54856661) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-3-(2-methylprop-2-enoxy)benzamide.

Molecular Properties

Compound NameN-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-3-(2-methylprop-2-enoxy)benzamide
PubChem CID54856661
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC NameN-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-3-(2-methylprop-2-enoxy)benzamide
SMILESC=C(C)COc1cccc(C(=O)N(C)C(C)C(O)c2ccccc2)c1
InChIInChI=1S/C21H25NO3/c1-15(2)14-25-19-12-8-11-18(13-19)21(24)22(4)16(3)20(23)17-9-6-5-7-10-17/h5-13,16,20,23H,1,14H2,2-4H3
InChIKeyQWHOHXOJMWJGLY-UHFFFAOYSA-N
XLogP3.84
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-3-(2-methylpropoxy)benzamide
CID 54856733
N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbenzamide;N-[(2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbenzamide
CID 158962259
N-[(1S)-2-hydroxy-1-phenylethyl]-3-(2-methylprop-2-enoxy)benzamide
CID 46984256
3-(2-methylprop-2-enoxy)-N-phenylbenzamide
CID 17133045
3-bromo-N-(1-hydroxy-1-phenylpropan-2-yl)-4-methoxy-N-methylbenzamide
CID 54856700
4-(2-ethoxyethoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylbenzamide
CID 54856940
N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-(4-phenylphenoxy)acetamide
CID 54856794
N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-(2-phenoxyethoxy)benzamide
CID 54856797
N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-(4-nitrophenoxy)acetamide
CID 54856792
3-(2-methylprop-2-enoxy)-N-propylbenzamide
CID 17133083
2-[3-[methyl(1-phenylbutan-2-yl)carbamoyl]phenoxy]acetic acid
CID 119186656
3-(2-amino-2-oxoethoxy)-N-methyl-N-[1-(4-methylphenyl)ethyl]benzamide
CID 134054424

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-3-(2-methylprop-2-enoxy)benzamide?
The IUPAC name of N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-3-(2-methylprop-2-enoxy)benzamide (CID 54856661) is N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-3-(2-methylprop-2-enoxy)benzamide.
What is the SMILES notation for N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-3-(2-methylprop-2-enoxy)benzamide?
The canonical SMILES for N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-3-(2-methylprop-2-enoxy)benzamide is C=C(C)COc1cccc(C(=O)N(C)C(C)C(O)c2ccccc2)c1.
What is the InChIKey of N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-3-(2-methylprop-2-enoxy)benzamide?
The InChIKey is QWHOHXOJMWJGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-15(2)14-25-19-12-8-11-18(13-19)21(24)22(4)16(3)20(23)17-9-6-5-7-10-17/h5-13,16,20,23H,1,14H2,2-4H3.
What are the key properties of N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-3-(2-methylprop-2-enoxy)benzamide?
N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-3-(2-methylprop-2-enoxy)benzamide has a molecular weight of 339.44 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-3-(2-methylprop-2-enoxy)benzamide is sourced from PubChem (CID 54856661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).