N-[(2S)-butan-2-yl]-2-[[(2R)-2-(2,4-dimethylphenoxy)propanoyl]amino]benzamide

C22H28N2O3 — CID 9173023

IUPACN-[(2S)-butan-2-yl]-2-[[(2R)-2-(2,4-dimethylphenoxy)propanoyl]amino]benzamide
SMILESCC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(C)cc1C
InChIInChI=1S/C22H28N2O3/c1-6-16(4)23-22(26)18-9-7-8-10-19(18)24-21(25)17(5)27-20-12-11-14(2)13-15(20)3/h7-13,16-17H,6H2,1-5H3,(H,23,26)(H,24,25)/t16-,17+/m0/s1
InChIKeyMVGCGEAHXHOKMH-DLBZAZTESA-N
MW368.48 g/mol
LogP4.24
Rot. Bonds7

About N-[(2S)-butan-2-yl]-2-[[(2R)-2-(2,4-dimethylphenoxy)propanoyl]amino]benzamide

N-[(2S)-butan-2-yl]-2-[[(2R)-2-(2,4-dimethylphenoxy)propanoyl]amino]benzamide (PubChem CID 9173023) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-2-[[(2R)-2-(2,4-dimethylphenoxy)propanoyl]amino]benzamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-2-[[(2R)-2-(2,4-dimethylphenoxy)propanoyl]amino]benzamide
PubChem CID9173023
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC NameN-[(2S)-butan-2-yl]-2-[[(2R)-2-(2,4-dimethylphenoxy)propanoyl]amino]benzamide
SMILESCC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(C)cc1C
InChIInChI=1S/C22H28N2O3/c1-6-16(4)23-22(26)18-9-7-8-10-19(18)24-21(25)17(5)27-20-12-11-14(2)13-15(20)3/h7-13,16-17H,6H2,1-5H3,(H,23,26)(H,24,25)/t16-,17+/m0/s1
InChIKeyMVGCGEAHXHOKMH-DLBZAZTESA-N
XLogP4.24
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-butan-2-yl]-2-[[(2S)-2-(3-methylphenoxy)propanoyl]amino]benzamide
CID 26074772
2-[[(2R)-2-(2,4-dimethylphenoxy)propanoyl]amino]-N-(2-methoxyethyl)benzamide
CID 9172865
N-butan-2-yl-2-[2-(2,6-dimethylphenoxy)propanoylamino]benzamide
CID 17151271
(2S)-N-[(2S)-butan-2-yl]-2-(2,4-dimethylphenoxy)propanamide
CID 9173478
N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-2,4-dimethylbenzamide
CID 34734992
N-propan-2-yl-2-[[(2R)-2-(2,3,5-trimethylphenoxy)propanoyl]amino]benzamide
CID 28580606
N-cyclohexyl-2-[[(2S)-2-(2,4-dimethylphenoxy)propanoyl]amino]benzamide
CID 9180227
N-butan-2-yl-2-[2-(3-methoxyphenoxy)propanoylamino]benzamide
CID 43877103
N-(2-aminophenyl)-2-(2,4-dimethylphenoxy)propanamide
CID 16781926
(2R)-N-(2-bromophenyl)-2-(2,4-dimethylphenoxy)propanamide
CID 837584
N-butan-2-yl-2-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzamide
CID 17151213
N-butan-2-yl-2-[2-(3,5-dimethylphenoxy)butanoylamino]benzamide
CID 132657473

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-2-[[(2R)-2-(2,4-dimethylphenoxy)propanoyl]amino]benzamide?
The IUPAC name of N-[(2S)-butan-2-yl]-2-[[(2R)-2-(2,4-dimethylphenoxy)propanoyl]amino]benzamide (CID 9173023) is N-[(2S)-butan-2-yl]-2-[[(2R)-2-(2,4-dimethylphenoxy)propanoyl]amino]benzamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-2-[[(2R)-2-(2,4-dimethylphenoxy)propanoyl]amino]benzamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-2-[[(2R)-2-(2,4-dimethylphenoxy)propanoyl]amino]benzamide is CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(C)cc1C.
What is the InChIKey of N-[(2S)-butan-2-yl]-2-[[(2R)-2-(2,4-dimethylphenoxy)propanoyl]amino]benzamide?
The InChIKey is MVGCGEAHXHOKMH-DLBZAZTESA-N. The full InChI is InChI=1S/C22H28N2O3/c1-6-16(4)23-22(26)18-9-7-8-10-19(18)24-21(25)17(5)27-20-12-11-14(2)13-15(20)3/h7-13,16-17H,6H2,1-5H3,(H,23,26)(H,24,25)/t16-,17+/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-2-[[(2R)-2-(2,4-dimethylphenoxy)propanoyl]amino]benzamide?
N-[(2S)-butan-2-yl]-2-[[(2R)-2-(2,4-dimethylphenoxy)propanoyl]amino]benzamide has a molecular weight of 368.48 g/mol, XLogP of 4.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-2-[[(2R)-2-(2,4-dimethylphenoxy)propanoyl]amino]benzamide is sourced from PubChem (CID 9173023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).