3-[(1R)-1-(3-methoxyphenyl)ethyl]-2-methylbenzamide

C17H19NO2 — CID 140555968

IUPAC3-[(1R)-1-(3-methoxyphenyl)ethyl]-2-methylbenzamide
SMILESCOc1cccc([C@@H](C)c2cccc(C(N)=O)c2C)c1
InChIInChI=1S/C17H19NO2/c1-11(13-6-4-7-14(10-13)20-3)15-8-5-9-16(12(15)2)17(18)19/h4-11H,1-3H3,(H2,18,19)/t11-/m1/s1
InChIKeyRJZHPHKPCCPOAV-LLVKDONJSA-N
MW269.34 g/mol
LogP3.25
Rot. Bonds4

About 3-[(1R)-1-(3-methoxyphenyl)ethyl]-2-methylbenzamide

3-[(1R)-1-(3-methoxyphenyl)ethyl]-2-methylbenzamide (PubChem CID 140555968) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 3-[(1R)-1-(3-methoxyphenyl)ethyl]-2-methylbenzamide.

Molecular Properties

Compound Name3-[(1R)-1-(3-methoxyphenyl)ethyl]-2-methylbenzamide
PubChem CID140555968
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name3-[(1R)-1-(3-methoxyphenyl)ethyl]-2-methylbenzamide
SMILESCOc1cccc([C@@H](C)c2cccc(C(N)=O)c2C)c1
InChIInChI=1S/C17H19NO2/c1-11(13-6-4-7-14(10-13)20-3)15-8-5-9-16(12(15)2)17(18)19/h4-11H,1-3H3,(H2,18,19)/t11-/m1/s1
InChIKeyRJZHPHKPCCPOAV-LLVKDONJSA-N
XLogP3.25
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1R)-1-(3-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
CID 68727161
(2R)-2-(3-methoxyphenyl)propanamide
CID 130713337
2-chloro-4-[1-(3-methoxyphenyl)ethylamino]benzamide
CID 43736525
2-(3-methoxyphenyl)-2-(methylamino)acetamide
CID 60797274
2-chloro-2-(3-methoxyphenyl)acetyl chloride
CID 14169390
(1R)-1-(3-methoxyphenyl)ethanol
CID 10219539
(2E,5E)-4-(3-methoxyphenyl)hepta-2,5-dienediamide
CID 170877403
(3S)-4-hydroxy-3-(3-methoxyphenyl)-2-methylbutanamide
CID 140960898
1-methoxy-3-[3-(3-methoxyphenyl)butan-2-yl]benzene
CID 12861418
2,2-bis(3-methoxyphenyl)acetic acid
CID 67016131
methyl (2R)-2-amino-2-(3-methoxyphenyl)acetate;hydrochloride
CID 171219744
2-[hydroxy-(4-methoxyphenyl)methyl]benzamide
CID 101445139

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-(3-methoxyphenyl)ethyl]-2-methylbenzamide?
The IUPAC name of 3-[(1R)-1-(3-methoxyphenyl)ethyl]-2-methylbenzamide (CID 140555968) is 3-[(1R)-1-(3-methoxyphenyl)ethyl]-2-methylbenzamide.
What is the SMILES notation for 3-[(1R)-1-(3-methoxyphenyl)ethyl]-2-methylbenzamide?
The canonical SMILES for 3-[(1R)-1-(3-methoxyphenyl)ethyl]-2-methylbenzamide is COc1cccc([C@@H](C)c2cccc(C(N)=O)c2C)c1.
What is the InChIKey of 3-[(1R)-1-(3-methoxyphenyl)ethyl]-2-methylbenzamide?
The InChIKey is RJZHPHKPCCPOAV-LLVKDONJSA-N. The full InChI is InChI=1S/C17H19NO2/c1-11(13-6-4-7-14(10-13)20-3)15-8-5-9-16(12(15)2)17(18)19/h4-11H,1-3H3,(H2,18,19)/t11-/m1/s1.
What are the key properties of 3-[(1R)-1-(3-methoxyphenyl)ethyl]-2-methylbenzamide?
3-[(1R)-1-(3-methoxyphenyl)ethyl]-2-methylbenzamide has a molecular weight of 269.34 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-(3-methoxyphenyl)ethyl]-2-methylbenzamide is sourced from PubChem (CID 140555968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).