N-cyclohexyl-2-[2-(2,3-dimethylphenoxy)propanoylamino]benzamide

C24H30N2O3 — CID 132763349

IUPACN-cyclohexyl-2-[2-(2,3-dimethylphenoxy)propanoylamino]benzamide
SMILESCc1cccc(OC(C)C(=O)Nc2ccccc2C(=O)NC2CCCCC2)c1C
InChIInChI=1S/C24H30N2O3/c1-16-10-9-15-22(17(16)2)29-18(3)23(27)26-21-14-8-7-13-20(21)24(28)25-19-11-5-4-6-12-19/h7-10,13-15,18-19H,4-6,11-12H2,1-3H3,(H,25,28)(H,26,27)
InChIKeyZUZGVLFEOSEUAQ-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.77
Rot. Bonds6

About N-cyclohexyl-2-[2-(2,3-dimethylphenoxy)propanoylamino]benzamide

N-cyclohexyl-2-[2-(2,3-dimethylphenoxy)propanoylamino]benzamide (PubChem CID 132763349) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-cyclohexyl-2-[2-(2,3-dimethylphenoxy)propanoylamino]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[2-(2,3-dimethylphenoxy)propanoylamino]benzamide
PubChem CID132763349
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC NameN-cyclohexyl-2-[2-(2,3-dimethylphenoxy)propanoylamino]benzamide
SMILESCc1cccc(OC(C)C(=O)Nc2ccccc2C(=O)NC2CCCCC2)c1C
InChIInChI=1S/C24H30N2O3/c1-16-10-9-15-22(17(16)2)29-18(3)23(27)26-21-14-8-7-13-20(21)24(28)25-19-11-5-4-6-12-19/h7-10,13-15,18-19H,4-6,11-12H2,1-3H3,(H,25,28)(H,26,27)
InChIKeyZUZGVLFEOSEUAQ-UHFFFAOYSA-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-[[(2S)-2-(2,6-dimethylphenoxy)propanoyl]amino]benzamide
CID 9297462
N-cyclohexyl-2-[[(2S)-2-(2,4-dimethylphenoxy)propanoyl]amino]benzamide
CID 9180227
N-cycloheptyl-2-(2,3-dimethylphenoxy)propanamide
CID 46771593
N-cyclohexyl-2-[[(2R)-2-(4-methylphenoxy)propanoyl]amino]benzamide
CID 2236056
2-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]-N-cyclohexylbenzamide
CID 4961027
(2S)-N-[2-(azepane-1-carbonyl)phenyl]-2-(2,3-dimethylphenoxy)propanamide
CID 94012360
(2R)-N-cyclopropyl-2-(2,3-dimethylphenoxy)propanamide
CID 39717598
2-[[(2R)-2-(2,3-dimethylphenoxy)propanoyl]amino]-N-[(1R)-1-phenylethyl]benzamide
CID 38008079
2-[[(2S)-2-(2,3-dimethylphenoxy)propanoyl]amino]-N-(3-methoxypropyl)benzamide
CID 92646261
(2S)-N-cyclooctyl-2-(2-methylphenoxy)propanamide
CID 94842700
(2S)-2-(2,3-dimethylphenoxy)-N-(2,3-dimethylphenyl)propanamide
CID 28574303
2-[[(2S)-2-chloropropanoyl]amino]-N-cyclohexylbenzamide
CID 92660383

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[2-(2,3-dimethylphenoxy)propanoylamino]benzamide?
The IUPAC name of N-cyclohexyl-2-[2-(2,3-dimethylphenoxy)propanoylamino]benzamide (CID 132763349) is N-cyclohexyl-2-[2-(2,3-dimethylphenoxy)propanoylamino]benzamide.
What is the SMILES notation for N-cyclohexyl-2-[2-(2,3-dimethylphenoxy)propanoylamino]benzamide?
The canonical SMILES for N-cyclohexyl-2-[2-(2,3-dimethylphenoxy)propanoylamino]benzamide is Cc1cccc(OC(C)C(=O)Nc2ccccc2C(=O)NC2CCCCC2)c1C.
What is the InChIKey of N-cyclohexyl-2-[2-(2,3-dimethylphenoxy)propanoylamino]benzamide?
The InChIKey is ZUZGVLFEOSEUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-16-10-9-15-22(17(16)2)29-18(3)23(27)26-21-14-8-7-13-20(21)24(28)25-19-11-5-4-6-12-19/h7-10,13-15,18-19H,4-6,11-12H2,1-3H3,(H,25,28)(H,26,27).
What are the key properties of N-cyclohexyl-2-[2-(2,3-dimethylphenoxy)propanoylamino]benzamide?
N-cyclohexyl-2-[2-(2,3-dimethylphenoxy)propanoylamino]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-[2-(2,3-dimethylphenoxy)propanoylamino]benzamide is sourced from PubChem (CID 132763349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).