2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]benzamide

C17H18N2O3 — CID 7371907

IUPAC2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]benzamide
SMILESCc1ccc(O[C@@H](C)C(=O)Nc2ccccc2C(N)=O)cc1
InChIInChI=1S/C17H18N2O3/c1-11-7-9-13(10-8-11)22-12(2)17(21)19-15-6-4-3-5-14(15)16(18)20/h3-10,12H,1-2H3,(H2,18,20)(H,19,21)/t12-/m0/s1
InChIKeyPXYSOLSNRUZIAF-LBPRGKRZSA-N
MW298.34 g/mol
LogP2.50
Rot. Bonds5

About 2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]benzamide

2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]benzamide (PubChem CID 7371907) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]benzamide.

Molecular Properties

Compound Name2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]benzamide
PubChem CID7371907
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]benzamide
SMILESCc1ccc(O[C@@H](C)C(=O)Nc2ccccc2C(N)=O)cc1
InChIInChI=1S/C17H18N2O3/c1-11-7-9-13(10-8-11)22-12(2)17(21)19-15-6-4-3-5-14(15)16(18)20/h3-10,12H,1-2H3,(H2,18,20)(H,19,21)/t12-/m0/s1
InChIKeyPXYSOLSNRUZIAF-LBPRGKRZSA-N
XLogP2.50
TPSA81.42 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 ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2R)-2-phenoxypropanoyl]amino]benzamide
CID 1336329
(2R)-2-(4-methylphenoxy)-N-[2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]phenyl]propanamide
CID 1019889
2-[[(2R)-2-(4-tert-butylphenoxy)propanoyl]amino]benzamide
CID 2216687
[1-(2-acetylanilino)-1-oxopropan-2-yl] 2-(4-methylphenoxy)propanoate
CID 16567139
N-[2-(hydroxymethyl)phenyl]-2-(4-methylphenoxy)propanamide
CID 60653440
N-(2-chlorophenyl)-2-(4-methylphenoxy)propanamide
CID 2983629
3-[2-(4-methoxyphenoxy)propanoylamino]-2-methylbenzamide
CID 53281948
(2R)-2-(4-methylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 40796627
2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]-N-[(1R)-1-phenylethyl]benzamide
CID 42426832
3-[[(2R)-2-(4-chlorophenoxy)propanoyl]amino]-2-methylbenzamide
CID 34584016
3-[2-(4-chlorophenoxy)propanoylamino]-2-methylbenzamide
CID 53282389
N-(2-methoxyethyl)-2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]benzamide
CID 9173265

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]benzamide?
The IUPAC name of 2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]benzamide (CID 7371907) is 2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]benzamide.
What is the SMILES notation for 2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]benzamide?
The canonical SMILES for 2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]benzamide is Cc1ccc(O[C@@H](C)C(=O)Nc2ccccc2C(N)=O)cc1.
What is the InChIKey of 2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]benzamide?
The InChIKey is PXYSOLSNRUZIAF-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-11-7-9-13(10-8-11)22-12(2)17(21)19-15-6-4-3-5-14(15)16(18)20/h3-10,12H,1-2H3,(H2,18,20)(H,19,21)/t12-/m0/s1.
What are the key properties of 2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]benzamide?
2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]benzamide has a molecular weight of 298.34 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]benzamide is sourced from PubChem (CID 7371907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).