2-[[(2R)-2-(2-methoxyphenoxy)butanoyl]amino]benzamide

C18H20N2O4 — CID 99132395

IUPAC2-[[(2R)-2-(2-methoxyphenoxy)butanoyl]amino]benzamide
SMILESCC[C@@H](Oc1ccccc1OC)C(=O)Nc1ccccc1C(N)=O
InChIInChI=1S/C18H20N2O4/c1-3-14(24-16-11-7-6-10-15(16)23-2)18(22)20-13-9-5-4-8-12(13)17(19)21/h4-11,14H,3H2,1-2H3,(H2,19,21)(H,20,22)/t14-/m1/s1
InChIKeyLKSBTMYDSGKUTM-CQSZACIVSA-N
MW328.37 g/mol
LogP2.59
Rot. Bonds7

About 2-[[(2R)-2-(2-methoxyphenoxy)butanoyl]amino]benzamide

2-[[(2R)-2-(2-methoxyphenoxy)butanoyl]amino]benzamide (PubChem CID 99132395) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-[[(2R)-2-(2-methoxyphenoxy)butanoyl]amino]benzamide.

Molecular Properties

Compound Name2-[[(2R)-2-(2-methoxyphenoxy)butanoyl]amino]benzamide
PubChem CID99132395
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name2-[[(2R)-2-(2-methoxyphenoxy)butanoyl]amino]benzamide
SMILESCC[C@@H](Oc1ccccc1OC)C(=O)Nc1ccccc1C(N)=O
InChIInChI=1S/C18H20N2O4/c1-3-14(24-16-11-7-6-10-15(16)23-2)18(22)20-13-9-5-4-8-12(13)17(19)21/h4-11,14H,3H2,1-2H3,(H2,19,21)(H,20,22)/t14-/m1/s1
InChIKeyLKSBTMYDSGKUTM-CQSZACIVSA-N
XLogP2.59
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2-chlorophenoxy)butanoylamino]benzamide
CID 53284900
2-[2-(2,3-dimethylphenoxy)butanoylamino]benzamide
CID 53284462
2-[[(2S)-2-phenoxybutanoyl]amino]benzamide
CID 898266
2-[2-(4-fluorophenoxy)butanoylamino]benzamide
CID 43906030
2-[[(2R)-2-(2,5-dimethylphenoxy)butanoyl]amino]benzamide
CID 94020116
2-[2-(2,5-dimethylphenoxy)butanoylamino]benzamide
CID 46772808
2-[[(2S)-2-(3,5-dimethylphenoxy)butanoyl]amino]benzamide
CID 99133293
(2S)-N-(2,3-dichlorophenyl)-2-(2-methoxyphenoxy)butanamide
CID 9173593
2-[[(2S)-2-(4-ethylphenoxy)butanoyl]amino]benzamide
CID 99133167
2-[[(2S)-2-naphthalen-2-yloxybutanoyl]amino]benzamide
CID 92675284
(2S)-2-(2-methoxyphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]butanamide
CID 40742401
methyl 2-[[(2S)-2-(2-methylphenoxy)butanoyl]amino]benzoate
CID 94019615

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-(2-methoxyphenoxy)butanoyl]amino]benzamide?
The IUPAC name of 2-[[(2R)-2-(2-methoxyphenoxy)butanoyl]amino]benzamide (CID 99132395) is 2-[[(2R)-2-(2-methoxyphenoxy)butanoyl]amino]benzamide.
What is the SMILES notation for 2-[[(2R)-2-(2-methoxyphenoxy)butanoyl]amino]benzamide?
The canonical SMILES for 2-[[(2R)-2-(2-methoxyphenoxy)butanoyl]amino]benzamide is CC[C@@H](Oc1ccccc1OC)C(=O)Nc1ccccc1C(N)=O.
What is the InChIKey of 2-[[(2R)-2-(2-methoxyphenoxy)butanoyl]amino]benzamide?
The InChIKey is LKSBTMYDSGKUTM-CQSZACIVSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-3-14(24-16-11-7-6-10-15(16)23-2)18(22)20-13-9-5-4-8-12(13)17(19)21/h4-11,14H,3H2,1-2H3,(H2,19,21)(H,20,22)/t14-/m1/s1.
What are the key properties of 2-[[(2R)-2-(2-methoxyphenoxy)butanoyl]amino]benzamide?
2-[[(2R)-2-(2-methoxyphenoxy)butanoyl]amino]benzamide has a molecular weight of 328.37 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-(2-methoxyphenoxy)butanoyl]amino]benzamide is sourced from PubChem (CID 99132395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).