N-cyclohexyl-2-[[(2S)-2-(2,4-dimethylphenoxy)propanoyl]amino]benzamide

C24H30N2O3 — CID 9180227

IUPACN-cyclohexyl-2-[[(2S)-2-(2,4-dimethylphenoxy)propanoyl]amino]benzamide
SMILESCc1ccc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)NC2CCCCC2)c(C)c1
InChIInChI=1S/C24H30N2O3/c1-16-13-14-22(17(2)15-16)29-18(3)23(27)26-21-12-8-7-11-20(21)24(28)25-19-9-5-4-6-10-19/h7-8,11-15,18-19H,4-6,9-10H2,1-3H3,(H,25,28)(H,26,27)/t18-/m0/s1
InChIKeyVDWFTIBQOMQRBE-SFHVURJKSA-N
MW394.52 g/mol
LogP4.77
Rot. Bonds6

About N-cyclohexyl-2-[[(2S)-2-(2,4-dimethylphenoxy)propanoyl]amino]benzamide

N-cyclohexyl-2-[[(2S)-2-(2,4-dimethylphenoxy)propanoyl]amino]benzamide (PubChem CID 9180227) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-cyclohexyl-2-[[(2S)-2-(2,4-dimethylphenoxy)propanoyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[[(2S)-2-(2,4-dimethylphenoxy)propanoyl]amino]benzamide
PubChem CID9180227
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC NameN-cyclohexyl-2-[[(2S)-2-(2,4-dimethylphenoxy)propanoyl]amino]benzamide
SMILESCc1ccc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)NC2CCCCC2)c(C)c1
InChIInChI=1S/C24H30N2O3/c1-16-13-14-22(17(2)15-16)29-18(3)23(27)26-21-12-8-7-11-20(21)24(28)25-19-9-5-4-6-10-19/h7-8,11-15,18-19H,4-6,9-10H2,1-3H3,(H,25,28)(H,26,27)/t18-/m0/s1
InChIKeyVDWFTIBQOMQRBE-SFHVURJKSA-N
XLogP4.77
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-2-[[(2R)-2-(4-methylphenoxy)propanoyl]amino]benzamide
CID 2236056
N-cyclohexyl-2-[2-(2,3-dimethylphenoxy)propanoylamino]benzamide
CID 132763349
N-cyclohexyl-2-[[(2S)-2-(2,6-dimethylphenoxy)propanoyl]amino]benzamide
CID 9297462
2-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]-N-cyclohexylbenzamide
CID 4961027
2-[[(2R)-2-(2,4-dimethylphenoxy)propanoyl]amino]-N-(2-methoxyethyl)benzamide
CID 9172865
N-[2-(cyclohexylcarbamoyl)phenyl]-2,4-dimethylbenzamide
CID 100720174
N-[(2S)-butan-2-yl]-2-[[(2R)-2-(2,4-dimethylphenoxy)propanoyl]amino]benzamide
CID 9173023
2-[[(2S)-2-chloropropanoyl]amino]-N-cyclohexylbenzamide
CID 92660383
(2R)-N-(2-bromophenyl)-2-(2,4-dimethylphenoxy)propanamide
CID 837584
N-(2-aminophenyl)-2-(2,4-dimethylphenoxy)propanamide
CID 16781926
N-propan-2-yl-2-[[(2R)-2-(2,3,5-trimethylphenoxy)propanoyl]amino]benzamide
CID 28580606
(2S)-N-cyclooctyl-2-(2-methylphenoxy)propanamide
CID 94842700

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[[(2S)-2-(2,4-dimethylphenoxy)propanoyl]amino]benzamide?
The IUPAC name of N-cyclohexyl-2-[[(2S)-2-(2,4-dimethylphenoxy)propanoyl]amino]benzamide (CID 9180227) is N-cyclohexyl-2-[[(2S)-2-(2,4-dimethylphenoxy)propanoyl]amino]benzamide.
What is the SMILES notation for N-cyclohexyl-2-[[(2S)-2-(2,4-dimethylphenoxy)propanoyl]amino]benzamide?
The canonical SMILES for N-cyclohexyl-2-[[(2S)-2-(2,4-dimethylphenoxy)propanoyl]amino]benzamide is Cc1ccc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)NC2CCCCC2)c(C)c1.
What is the InChIKey of N-cyclohexyl-2-[[(2S)-2-(2,4-dimethylphenoxy)propanoyl]amino]benzamide?
The InChIKey is VDWFTIBQOMQRBE-SFHVURJKSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-16-13-14-22(17(2)15-16)29-18(3)23(27)26-21-12-8-7-11-20(21)24(28)25-19-9-5-4-6-10-19/h7-8,11-15,18-19H,4-6,9-10H2,1-3H3,(H,25,28)(H,26,27)/t18-/m0/s1.
What are the key properties of N-cyclohexyl-2-[[(2S)-2-(2,4-dimethylphenoxy)propanoyl]amino]benzamide?
N-cyclohexyl-2-[[(2S)-2-(2,4-dimethylphenoxy)propanoyl]amino]benzamide has a molecular weight of 394.52 g/mol, XLogP of 4.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[[(2S)-2-(2,4-dimethylphenoxy)propanoyl]amino]benzamide is sourced from PubChem (CID 9180227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).