N-(1-hydroxy-1-phenylpropan-2-yl)-2-methoxy-N-methylbenzamide

C18H21NO3 — CID 54856631

IUPACN-(1-hydroxy-1-phenylpropan-2-yl)-2-methoxy-N-methylbenzamide
SMILESCOc1ccccc1C(=O)N(C)C(C)C(O)c1ccccc1
InChIInChI=1S/C18H21NO3/c1-13(17(20)14-9-5-4-6-10-14)19(2)18(21)15-11-7-8-12-16(15)22-3/h4-13,17,20H,1-3H3
InChIKeyMCIJPOZWCZBKEY-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.89
Rot. Bonds5

About N-(1-hydroxy-1-phenylpropan-2-yl)-2-methoxy-N-methylbenzamide

N-(1-hydroxy-1-phenylpropan-2-yl)-2-methoxy-N-methylbenzamide (PubChem CID 54856631) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-(1-hydroxy-1-phenylpropan-2-yl)-2-methoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-(1-hydroxy-1-phenylpropan-2-yl)-2-methoxy-N-methylbenzamide
PubChem CID54856631
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC NameN-(1-hydroxy-1-phenylpropan-2-yl)-2-methoxy-N-methylbenzamide
SMILESCOc1ccccc1C(=O)N(C)C(C)C(O)c1ccccc1
InChIInChI=1S/C18H21NO3/c1-13(17(20)14-9-5-4-6-10-14)19(2)18(21)15-11-7-8-12-16(15)22-3/h4-13,17,20H,1-3H3
InChIKeyMCIJPOZWCZBKEY-UHFFFAOYSA-N
XLogP2.89
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-(2-phenoxyethoxy)benzamide
CID 54856797
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
5-bromo-2-ethoxy-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylbenzamide
CID 54856706
2-methoxybenzoic acid;bis(propan-2-ol)
CID 130236181
(2R,3R)-2-hydroxy-1-(2-methoxyphenyl)-3-phenylbutan-1-one
CID 102254058
N-[(2S)-1-amino-3-methylbutan-2-yl]-2-methoxy-N-methylbenzamide
CID 131998525
N-(2-hydroxyethyl)-N-(2-hydroxypropyl)-2-methoxybenzamide
CID 112508973
3-[2-hydroxypropyl-(2-methoxybenzoyl)amino]-2-methylpropanoic acid
CID 82324930
5-fluoro-2-methoxy-N-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 166382855
2-amino-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide
CID 102065194
1-(1-hydroxy-1-phenylpropan-2-yl)-1,3-dimethylurea
CID 23264849

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-1-phenylpropan-2-yl)-2-methoxy-N-methylbenzamide?
The IUPAC name of N-(1-hydroxy-1-phenylpropan-2-yl)-2-methoxy-N-methylbenzamide (CID 54856631) is N-(1-hydroxy-1-phenylpropan-2-yl)-2-methoxy-N-methylbenzamide.
What is the SMILES notation for N-(1-hydroxy-1-phenylpropan-2-yl)-2-methoxy-N-methylbenzamide?
The canonical SMILES for N-(1-hydroxy-1-phenylpropan-2-yl)-2-methoxy-N-methylbenzamide is COc1ccccc1C(=O)N(C)C(C)C(O)c1ccccc1.
What is the InChIKey of N-(1-hydroxy-1-phenylpropan-2-yl)-2-methoxy-N-methylbenzamide?
The InChIKey is MCIJPOZWCZBKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-13(17(20)14-9-5-4-6-10-14)19(2)18(21)15-11-7-8-12-16(15)22-3/h4-13,17,20H,1-3H3.
What are the key properties of N-(1-hydroxy-1-phenylpropan-2-yl)-2-methoxy-N-methylbenzamide?
N-(1-hydroxy-1-phenylpropan-2-yl)-2-methoxy-N-methylbenzamide has a molecular weight of 299.37 g/mol, XLogP of 2.89, 5 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)-2-methoxy-N-methylbenzamide is sourced from PubChem (CID 54856631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).