N-propan-2-yl-2-[[(2R)-2-(2,3,5-trimethylphenoxy)propanoyl]amino]benzamide

C22H28N2O3 — CID 28580606

IUPACN-propan-2-yl-2-[[(2R)-2-(2,3,5-trimethylphenoxy)propanoyl]amino]benzamide
SMILESCc1cc(C)c(C)c(O[C@H](C)C(=O)Nc2ccccc2C(=O)NC(C)C)c1
InChIInChI=1S/C22H28N2O3/c1-13(2)23-22(26)18-9-7-8-10-19(18)24-21(25)17(6)27-20-12-14(3)11-15(4)16(20)5/h7-13,17H,1-6H3,(H,23,26)(H,24,25)/t17-/m1/s1
InChIKeyNQKGQHQKSCVDDW-QGZVFWFLSA-N
MW368.48 g/mol
LogP4.16
Rot. Bonds6

About N-propan-2-yl-2-[[(2R)-2-(2,3,5-trimethylphenoxy)propanoyl]amino]benzamide

N-propan-2-yl-2-[[(2R)-2-(2,3,5-trimethylphenoxy)propanoyl]amino]benzamide (PubChem CID 28580606) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-propan-2-yl-2-[[(2R)-2-(2,3,5-trimethylphenoxy)propanoyl]amino]benzamide.

Molecular Properties

Compound NameN-propan-2-yl-2-[[(2R)-2-(2,3,5-trimethylphenoxy)propanoyl]amino]benzamide
PubChem CID28580606
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC NameN-propan-2-yl-2-[[(2R)-2-(2,3,5-trimethylphenoxy)propanoyl]amino]benzamide
SMILESCc1cc(C)c(C)c(O[C@H](C)C(=O)Nc2ccccc2C(=O)NC(C)C)c1
InChIInChI=1S/C22H28N2O3/c1-13(2)23-22(26)18-9-7-8-10-19(18)24-21(25)17(6)27-20-12-14(3)11-15(4)16(20)5/h7-13,17H,1-6H3,(H,23,26)(H,24,25)/t17-/m1/s1
InChIKeyNQKGQHQKSCVDDW-QGZVFWFLSA-N
XLogP4.16
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-butan-2-yl]-2-[[(2R)-2-(2,4-dimethylphenoxy)propanoyl]amino]benzamide
CID 9173023
(2S)-N-(3-chloro-2-methylphenyl)-2-(2,3,5-trimethylphenoxy)propanamide
CID 92680538
2-[[(2R)-2-(2,3-dimethylphenoxy)propanoyl]amino]-N-[(1R)-1-phenylethyl]benzamide
CID 38008079
2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]-N-propan-2-ylbenzamide
CID 9205694
2-(2-methylpropanoylamino)-N-propan-2-ylbenzamide
CID 34564562
N-cyclohexyl-2-[[(2S)-2-(2,4-dimethylphenoxy)propanoyl]amino]benzamide
CID 9180227
(2R)-N-benzhydryl-2-(2,3,5-trimethylphenoxy)propanamide
CID 92683815
(2S)-N-(4-chlorophenyl)-2-(2,3,5-trimethylphenoxy)propanamide
CID 94019096
2-[[(2R)-2-(2,3-dimethylphenoxy)butanoyl]amino]-N-propan-2-ylbenzamide
CID 92674701
2-[[(2R)-2-(2,4-dimethylphenoxy)propanoyl]amino]-N-(2-methoxyethyl)benzamide
CID 9172865
N-(4-anilinophenyl)-2-[2-(2,5-dimethylphenoxy)propanoylamino]benzamide
CID 4944912
N-(2,4-dichlorophenyl)-2-(2,3,5-trimethylphenoxy)propanamide
CID 46770459

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-[[(2R)-2-(2,3,5-trimethylphenoxy)propanoyl]amino]benzamide?
The IUPAC name of N-propan-2-yl-2-[[(2R)-2-(2,3,5-trimethylphenoxy)propanoyl]amino]benzamide (CID 28580606) is N-propan-2-yl-2-[[(2R)-2-(2,3,5-trimethylphenoxy)propanoyl]amino]benzamide.
What is the SMILES notation for N-propan-2-yl-2-[[(2R)-2-(2,3,5-trimethylphenoxy)propanoyl]amino]benzamide?
The canonical SMILES for N-propan-2-yl-2-[[(2R)-2-(2,3,5-trimethylphenoxy)propanoyl]amino]benzamide is Cc1cc(C)c(C)c(O[C@H](C)C(=O)Nc2ccccc2C(=O)NC(C)C)c1.
What is the InChIKey of N-propan-2-yl-2-[[(2R)-2-(2,3,5-trimethylphenoxy)propanoyl]amino]benzamide?
The InChIKey is NQKGQHQKSCVDDW-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-13(2)23-22(26)18-9-7-8-10-19(18)24-21(25)17(6)27-20-12-14(3)11-15(4)16(20)5/h7-13,17H,1-6H3,(H,23,26)(H,24,25)/t17-/m1/s1.
What are the key properties of N-propan-2-yl-2-[[(2R)-2-(2,3,5-trimethylphenoxy)propanoyl]amino]benzamide?
N-propan-2-yl-2-[[(2R)-2-(2,3,5-trimethylphenoxy)propanoyl]amino]benzamide has a molecular weight of 368.48 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-[[(2R)-2-(2,3,5-trimethylphenoxy)propanoyl]amino]benzamide is sourced from PubChem (CID 28580606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).