2-[(1R)-1-(3-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide

C17H18N2O3 — CID 68727161

IUPAC2-[(1R)-1-(3-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
SMILESCOc1cccc([C@@H](C)c2c(C(N)=O)cccc2C(N)=O)c1
InChIInChI=1S/C17H18N2O3/c1-10(11-5-3-6-12(9-11)22-2)15-13(16(18)20)7-4-8-14(15)17(19)21/h3-10H,1-2H3,(H2,18,20)(H2,19,21)/t10-/m1/s1
InChIKeyJYMJOMKQRGYDLI-SNVBAGLBSA-N
MW298.34 g/mol
LogP2.04
Rot. Bonds5

About 2-[(1R)-1-(3-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide

2-[(1R)-1-(3-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide (PubChem CID 68727161) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 2-[(1R)-1-(3-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name2-[(1R)-1-(3-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
PubChem CID68727161
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name2-[(1R)-1-(3-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
SMILESCOc1cccc([C@@H](C)c2c(C(N)=O)cccc2C(N)=O)c1
InChIInChI=1S/C17H18N2O3/c1-10(11-5-3-6-12(9-11)22-2)15-13(16(18)20)7-4-8-14(15)17(19)21/h3-10H,1-2H3,(H2,18,20)(H2,19,21)/t10-/m1/s1
InChIKeyJYMJOMKQRGYDLI-SNVBAGLBSA-N
XLogP2.04
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1R)-1-(3-methoxyphenyl)ethyl]-2-methylbenzamide
CID 140555968
2-(1-phenylethyl)benzene-1,3-dicarboxamide
CID 68956962
(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

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-(3-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide?
The IUPAC name of 2-[(1R)-1-(3-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide (CID 68727161) is 2-[(1R)-1-(3-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 2-[(1R)-1-(3-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide?
The canonical SMILES for 2-[(1R)-1-(3-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide is COc1cccc([C@@H](C)c2c(C(N)=O)cccc2C(N)=O)c1.
What is the InChIKey of 2-[(1R)-1-(3-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide?
The InChIKey is JYMJOMKQRGYDLI-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-10(11-5-3-6-12(9-11)22-2)15-13(16(18)20)7-4-8-14(15)17(19)21/h3-10H,1-2H3,(H2,18,20)(H2,19,21)/t10-/m1/s1.
What are the key properties of 2-[(1R)-1-(3-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide?
2-[(1R)-1-(3-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide has a molecular weight of 298.34 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-(3-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 68727161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).