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

C17H19NO3 — CID 93033692

IUPACN-[(2R)-2-hydroxy-2-phenylethyl]-3-methoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)NC[C@H](O)c2ccccc2)ccc1C
InChIInChI=1S/C17H19NO3/c1-12-8-9-14(10-16(12)21-2)17(20)18-11-15(19)13-6-4-3-5-7-13/h3-10,15,19H,11H2,1-2H3,(H,18,20)/t15-/m0/s1
InChIKeyLLNAQVKBMOEINA-HNNXBMFYSA-N
MW285.34 g/mol
LogP2.47
Rot. Bonds5

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

N-[(2R)-2-hydroxy-2-phenylethyl]-3-methoxy-4-methylbenzamide (PubChem CID 93033692) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-2-phenylethyl]-3-methoxy-4-methylbenzamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-2-phenylethyl]-3-methoxy-4-methylbenzamide
PubChem CID93033692
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC NameN-[(2R)-2-hydroxy-2-phenylethyl]-3-methoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)NC[C@H](O)c2ccccc2)ccc1C
InChIInChI=1S/C17H19NO3/c1-12-8-9-14(10-16(12)21-2)17(20)18-11-15(19)13-6-4-3-5-7-13/h3-10,15,19H,11H2,1-2H3,(H,18,20)/t15-/m0/s1
InChIKeyLLNAQVKBMOEINA-HNNXBMFYSA-N
XLogP2.47
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 ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-4-methyl-N-(3-methyl-2-phenylbutyl)benzamide
CID 46441342
3-amino-N-(2-hydroxy-2-phenylethyl)-4-methoxybenzamide
CID 43498531
N-(4-hydroxy-2-methylpentyl)-3-methoxy-4-methylbenzamide
CID 111447086
N-(2-hydroxy-2-phenylethyl)-4-methylbenzamide
CID 2812769
3-methoxy-4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 26009148
3-[[(3-methoxy-4-methylbenzoyl)amino]methyl]pentanoic acid
CID 81064154
N-[(2S)-2-hydroxy-2-phenylethyl]benzamide
CID 6542363
3-methoxy-4-methyl-N-[(4-methylphenyl)-phenylmethyl]benzamide
CID 18208620
7-[(3-methoxy-4-methylbenzoyl)amino]heptanoic acid
CID 24701058
N-(2-aminoethyl)-3-methoxy-4-methylbenzamide
CID 18071038
N-(2-amino-2-phenylethyl)-3,4-dimethylbenzamide
CID 63120465
N-(2-hydroxy-2-phenylethyl)-2,5-dimethylbenzamide
CID 43391272

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-2-phenylethyl]-3-methoxy-4-methylbenzamide?
The IUPAC name of N-[(2R)-2-hydroxy-2-phenylethyl]-3-methoxy-4-methylbenzamide (CID 93033692) is N-[(2R)-2-hydroxy-2-phenylethyl]-3-methoxy-4-methylbenzamide.
What is the SMILES notation for N-[(2R)-2-hydroxy-2-phenylethyl]-3-methoxy-4-methylbenzamide?
The canonical SMILES for N-[(2R)-2-hydroxy-2-phenylethyl]-3-methoxy-4-methylbenzamide is COc1cc(C(=O)NC[C@H](O)c2ccccc2)ccc1C.
What is the InChIKey of N-[(2R)-2-hydroxy-2-phenylethyl]-3-methoxy-4-methylbenzamide?
The InChIKey is LLNAQVKBMOEINA-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-12-8-9-14(10-16(12)21-2)17(20)18-11-15(19)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 N-[(2R)-2-hydroxy-2-phenylethyl]-3-methoxy-4-methylbenzamide?
N-[(2R)-2-hydroxy-2-phenylethyl]-3-methoxy-4-methylbenzamide has a molecular weight of 285.34 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxy-2-phenylethyl]-3-methoxy-4-methylbenzamide is sourced from PubChem (CID 93033692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).