N-cyclohexyl-2-[[(2S)-2-(2,6-dimethylphenoxy)propanoyl]amino]benzamide

C24H30N2O3 — CID 9297462

IUPACN-cyclohexyl-2-[[(2S)-2-(2,6-dimethylphenoxy)propanoyl]amino]benzamide
SMILESCc1cccc(C)c1O[C@@H](C)C(=O)Nc1ccccc1C(=O)NC1CCCCC1
InChIInChI=1S/C24H30N2O3/c1-16-10-9-11-17(2)22(16)29-18(3)23(27)26-21-15-8-7-14-20(21)24(28)25-19-12-5-4-6-13-19/h7-11,14-15,18-19H,4-6,12-13H2,1-3H3,(H,25,28)(H,26,27)/t18-/m0/s1
InChIKeyBYHORVQYGLLXRP-SFHVURJKSA-N
MW394.52 g/mol
LogP4.77
Rot. Bonds6

About N-cyclohexyl-2-[[(2S)-2-(2,6-dimethylphenoxy)propanoyl]amino]benzamide

N-cyclohexyl-2-[[(2S)-2-(2,6-dimethylphenoxy)propanoyl]amino]benzamide (PubChem CID 9297462) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-cyclohexyl-2-[[(2S)-2-(2,6-dimethylphenoxy)propanoyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[[(2S)-2-(2,6-dimethylphenoxy)propanoyl]amino]benzamide
PubChem CID9297462
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC NameN-cyclohexyl-2-[[(2S)-2-(2,6-dimethylphenoxy)propanoyl]amino]benzamide
SMILESCc1cccc(C)c1O[C@@H](C)C(=O)Nc1ccccc1C(=O)NC1CCCCC1
InChIInChI=1S/C24H30N2O3/c1-16-10-9-11-17(2)22(16)29-18(3)23(27)26-21-15-8-7-14-20(21)24(28)25-19-12-5-4-6-13-19/h7-11,14-15,18-19H,4-6,12-13H2,1-3H3,(H,25,28)(H,26,27)/t18-/m0/s1
InChIKeyBYHORVQYGLLXRP-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

2-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]-N-cyclohexylbenzamide
CID 4961027
N-cyclohexyl-2-[2-(2,3-dimethylphenoxy)propanoylamino]benzamide
CID 132763349
N-cyclohexyl-2-[[(2R)-2-(4-methylphenoxy)propanoyl]amino]benzamide
CID 2236056
N-cyclohexyl-2-[[(2S)-2-(2,4-dimethylphenoxy)propanoyl]amino]benzamide
CID 9180227
N-cyclohexyl-2-[2-(2,6-dimethylphenoxy)propanoylamino]-N-methylbenzamide
CID 4958547
2-[[(2S)-2-chloropropanoyl]amino]-N-cyclohexylbenzamide
CID 92660383
2-[[(2S)-2-(2,6-dimethylphenoxy)propanoyl]amino]-N-ethylbenzamide
CID 9297715
N-cycloheptyl-2-(propan-2-ylamino)benzamide
CID 63107657
2-(2,6-dimethylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 4958532
N-butan-2-yl-2-[2-(2,6-dimethylphenoxy)propanoylamino]benzamide
CID 17151271
N-cyclopropyl-2-[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]benzamide
CID 26905849
N-cyclopentyl-2-(2-methylsulfanylpropanoylamino)benzamide
CID 43077712

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[[(2S)-2-(2,6-dimethylphenoxy)propanoyl]amino]benzamide?
The IUPAC name of N-cyclohexyl-2-[[(2S)-2-(2,6-dimethylphenoxy)propanoyl]amino]benzamide (CID 9297462) is N-cyclohexyl-2-[[(2S)-2-(2,6-dimethylphenoxy)propanoyl]amino]benzamide.
What is the SMILES notation for N-cyclohexyl-2-[[(2S)-2-(2,6-dimethylphenoxy)propanoyl]amino]benzamide?
The canonical SMILES for N-cyclohexyl-2-[[(2S)-2-(2,6-dimethylphenoxy)propanoyl]amino]benzamide is Cc1cccc(C)c1O[C@@H](C)C(=O)Nc1ccccc1C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[[(2S)-2-(2,6-dimethylphenoxy)propanoyl]amino]benzamide?
The InChIKey is BYHORVQYGLLXRP-SFHVURJKSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-16-10-9-11-17(2)22(16)29-18(3)23(27)26-21-15-8-7-14-20(21)24(28)25-19-12-5-4-6-13-19/h7-11,14-15,18-19H,4-6,12-13H2,1-3H3,(H,25,28)(H,26,27)/t18-/m0/s1.
What are the key properties of N-cyclohexyl-2-[[(2S)-2-(2,6-dimethylphenoxy)propanoyl]amino]benzamide?
N-cyclohexyl-2-[[(2S)-2-(2,6-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-(2,6-dimethylphenoxy)propanoyl]amino]benzamide is sourced from PubChem (CID 9297462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).