4-hydroxy-N-[(1R)-2-methoxy-1-phenylethyl]-3-methylbenzamide

C17H19NO3 — CID 143001995

IUPAC4-hydroxy-N-[(1R)-2-methoxy-1-phenylethyl]-3-methylbenzamide
SMILESCOC[C@H](NC(=O)c1ccc(O)c(C)c1)c1ccccc1
InChIInChI=1S/C17H19NO3/c1-12-10-14(8-9-16(12)19)17(20)18-15(11-21-2)13-6-4-3-5-7-13/h3-10,15,19H,11H2,1-2H3,(H,18,20)/t15-/m0/s1
InChIKeyDLKHNRYKWCXVMP-HNNXBMFYSA-N
MW285.34 g/mol
LogP2.82
Rot. Bonds5

About 4-hydroxy-N-[(1R)-2-methoxy-1-phenylethyl]-3-methylbenzamide

4-hydroxy-N-[(1R)-2-methoxy-1-phenylethyl]-3-methylbenzamide (PubChem CID 143001995) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 4-hydroxy-N-[(1R)-2-methoxy-1-phenylethyl]-3-methylbenzamide.

Molecular Properties

Compound Name4-hydroxy-N-[(1R)-2-methoxy-1-phenylethyl]-3-methylbenzamide
PubChem CID143001995
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name4-hydroxy-N-[(1R)-2-methoxy-1-phenylethyl]-3-methylbenzamide
SMILESCOC[C@H](NC(=O)c1ccc(O)c(C)c1)c1ccccc1
InChIInChI=1S/C17H19NO3/c1-12-10-14(8-9-16(12)19)17(20)18-15(11-21-2)13-6-4-3-5-7-13/h3-10,15,19H,11H2,1-2H3,(H,18,20)/t15-/m0/s1
InChIKeyDLKHNRYKWCXVMP-HNNXBMFYSA-N
XLogP2.82
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-N-(2-methoxy-1-phenylethyl)-3-nitrobenzamide
CID 102561312
(2-methoxy-1-phenylethyl)carbamic acid
CID 69063915
(2S)-2-[(4-hydroxy-3-methylbenzoyl)amino]-2-phenylacetic acid
CID 107675151
N-(4-bromo-1-methoxybutan-2-yl)-4-hydroxy-3-methylbenzamide
CID 106156204
4-hydroxy-N-(1-hydroxy-4-methoxybutan-2-yl)-3-methylbenzamide
CID 114211302
3,4-dimethyl-N-(3-methyl-1-phenylbutyl)benzamide
CID 133160183
3,4-dihydroxy-N-(2-hydroxy-1-phenylethyl)benzamide
CID 103958252
3-ethyl-N-(2-methoxy-1-phenylethyl)-2H-indazole-5-carboxamide
CID 123173183
N-[(1R)-2-(methoxymethoxy)-1-phenylethyl]benzamide
CID 101131484
N-(2-bromo-1-phenylethyl)-3,4-dihydroxybenzamide
CID 107729033
N-benzhydryl-3,4-dimethylbenzamide
CID 1219840
2-[(4-hydroxy-3-methylbenzoyl)amino]-3-methylpentanoic acid
CID 107674660

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[(1R)-2-methoxy-1-phenylethyl]-3-methylbenzamide?
The IUPAC name of 4-hydroxy-N-[(1R)-2-methoxy-1-phenylethyl]-3-methylbenzamide (CID 143001995) is 4-hydroxy-N-[(1R)-2-methoxy-1-phenylethyl]-3-methylbenzamide.
What is the SMILES notation for 4-hydroxy-N-[(1R)-2-methoxy-1-phenylethyl]-3-methylbenzamide?
The canonical SMILES for 4-hydroxy-N-[(1R)-2-methoxy-1-phenylethyl]-3-methylbenzamide is COC[C@H](NC(=O)c1ccc(O)c(C)c1)c1ccccc1.
What is the InChIKey of 4-hydroxy-N-[(1R)-2-methoxy-1-phenylethyl]-3-methylbenzamide?
The InChIKey is DLKHNRYKWCXVMP-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-12-10-14(8-9-16(12)19)17(20)18-15(11-21-2)13-6-4-3-5-7-13/h3-10,15,19H,11H2,1-2H3,(H,18,20)/t15-/m0/s1.
What are the key properties of 4-hydroxy-N-[(1R)-2-methoxy-1-phenylethyl]-3-methylbenzamide?
4-hydroxy-N-[(1R)-2-methoxy-1-phenylethyl]-3-methylbenzamide has a molecular weight of 285.34 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[(1R)-2-methoxy-1-phenylethyl]-3-methylbenzamide is sourced from PubChem (CID 143001995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).