N-cyclohexyl-3-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzamide

C24H30N2O3 — CID 17170482

IUPACN-cyclohexyl-3-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzamide
SMILESCC(C)c1ccccc1OCC(=O)Nc1cccc(C(=O)NC2CCCCC2)c1
InChIInChI=1S/C24H30N2O3/c1-17(2)21-13-6-7-14-22(21)29-16-23(27)25-20-12-8-9-18(15-20)24(28)26-19-10-4-3-5-11-19/h6-9,12-15,17,19H,3-5,10-11,16H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyHGBKWQWYVDGXBV-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.89
Rot. Bonds7

About N-cyclohexyl-3-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzamide

N-cyclohexyl-3-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzamide (PubChem CID 17170482) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-cyclohexyl-3-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzamide
PubChem CID17170482
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC NameN-cyclohexyl-3-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzamide
SMILESCC(C)c1ccccc1OCC(=O)Nc1cccc(C(=O)NC2CCCCC2)c1
InChIInChI=1S/C24H30N2O3/c1-17(2)21-13-6-7-14-22(21)29-16-23(27)25-20-12-8-9-18(15-20)24(28)26-19-10-4-3-5-11-19/h6-9,12-15,17,19H,3-5,10-11,16H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyHGBKWQWYVDGXBV-UHFFFAOYSA-N
XLogP4.89
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-2-(2-propan-2-ylphenoxy)acetamide
CID 725880
N-cyclohexyl-3-[[2-(2,6-dimethylphenoxy)acetyl]amino]benzamide
CID 17170486
3-[[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]amino]-N-cyclohexylbenzamide
CID 17189643
3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]-N-cyclohexylbenzamide
CID 17170552
N-cyclopropyl-3-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzamide
CID 24581450
N-(cyclohexylcarbamothioyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 19188194
3-[2-(2-butan-2-ylphenoxy)butanoylamino]-N-cyclohexylbenzamide
CID 17170670
N,N'-bis[3-(cyclohexylcarbamoyl)phenyl]decanediamide
CID 17170648
[2-(cycloheptylamino)-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate
CID 7903929
2-[2-(1-aminoethyl)phenoxy]-N-cyclohexylacetamide
CID 43186044
N-cycloheptyl-2-[2-[(1S)-1-hydroxyethyl]phenoxy]acetamide
CID 78933846
N-(3-methylsulfonylphenyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 9071755

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzamide?
The IUPAC name of N-cyclohexyl-3-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzamide (CID 17170482) is N-cyclohexyl-3-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzamide.
What is the SMILES notation for N-cyclohexyl-3-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzamide?
The canonical SMILES for N-cyclohexyl-3-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzamide is CC(C)c1ccccc1OCC(=O)Nc1cccc(C(=O)NC2CCCCC2)c1.
What is the InChIKey of N-cyclohexyl-3-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzamide?
The InChIKey is HGBKWQWYVDGXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-17(2)21-13-6-7-14-22(21)29-16-23(27)25-20-12-8-9-18(15-20)24(28)26-19-10-4-3-5-11-19/h6-9,12-15,17,19H,3-5,10-11,16H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of N-cyclohexyl-3-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzamide?
N-cyclohexyl-3-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzamide has a molecular weight of 394.52 g/mol, XLogP of 4.89, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzamide is sourced from PubChem (CID 17170482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).