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

C21H27NO3 — CID 54856733

IUPACN-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-3-(2-methylpropoxy)benzamide
SMILESCC(C)COc1cccc(C(=O)N(C)C(C)C(O)c2ccccc2)c1
InChIInChI=1S/C21H27NO3/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/h5-13,15-16,20,23H,14H2,1-4H3
InChIKeyFAQIENDQROTMOE-UHFFFAOYSA-N
MW341.45 g/mol
LogP3.92
Rot. Bonds7

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

N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-3-(2-methylpropoxy)benzamide (PubChem CID 54856733) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-3-(2-methylpropoxy)benzamide.

Molecular Properties

Compound NameN-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-3-(2-methylpropoxy)benzamide
PubChem CID54856733
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC NameN-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-3-(2-methylpropoxy)benzamide
SMILESCC(C)COc1cccc(C(=O)N(C)C(C)C(O)c2ccccc2)c1
InChIInChI=1S/C21H27NO3/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/h5-13,15-16,20,23H,14H2,1-4H3
InChIKeyFAQIENDQROTMOE-UHFFFAOYSA-N
XLogP3.92
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-3-(2-methylprop-2-enoxy)benzamide
CID 54856661
N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbenzamide;N-[(2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbenzamide
CID 158962259
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
3-(2-methylpropoxy)benzoyl chloride
CID 4772728
N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-(2-phenoxyethoxy)benzamide
CID 54856797
N-[(2S)-2-hydroxypropyl]-3-(2-methylpropoxy)benzamide
CID 83030958
2-hydroxy-3-[[3-(2-methylpropoxy)benzoyl]amino]propanoic acid
CID 66168078
N-(3-hydroxy-2-methylpropyl)-3-(2-methylpropoxy)benzamide
CID 65037333
methyl 3-(2-hydroxy-2-phenylethoxy)benzoate
CID 109414098
N-methyl-3-(2-methylpropoxy)-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8961836
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methyl-N-(1-phenylethyl)benzamide
CID 51188159

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-3-(2-methylpropoxy)benzamide?
The IUPAC name of N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-3-(2-methylpropoxy)benzamide (CID 54856733) is N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-3-(2-methylpropoxy)benzamide.
What is the SMILES notation for N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-3-(2-methylpropoxy)benzamide?
The canonical SMILES for N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-3-(2-methylpropoxy)benzamide is CC(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-methylpropoxy)benzamide?
The InChIKey is FAQIENDQROTMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/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/h5-13,15-16,20,23H,14H2,1-4H3.
What are the key properties of N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-3-(2-methylpropoxy)benzamide?
N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-3-(2-methylpropoxy)benzamide has a molecular weight of 341.45 g/mol, XLogP of 3.92, 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-methylpropoxy)benzamide is sourced from PubChem (CID 54856733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).