N-cyclohexyl-3-[2-(4-ethylphenoxy)propanoylamino]benzamide

C24H30N2O3 — CID 17170605

IUPACN-cyclohexyl-3-[2-(4-ethylphenoxy)propanoylamino]benzamide
SMILESCCc1ccc(OC(C)C(=O)Nc2cccc(C(=O)NC3CCCCC3)c2)cc1
InChIInChI=1S/C24H30N2O3/c1-3-18-12-14-22(15-13-18)29-17(2)23(27)26-21-11-7-8-19(16-21)24(28)25-20-9-5-4-6-10-20/h7-8,11-17,20H,3-6,9-10H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyCGMNNIPUMABBDP-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.72
Rot. Bonds7

About N-cyclohexyl-3-[2-(4-ethylphenoxy)propanoylamino]benzamide

N-cyclohexyl-3-[2-(4-ethylphenoxy)propanoylamino]benzamide (PubChem CID 17170605) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-cyclohexyl-3-[2-(4-ethylphenoxy)propanoylamino]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[2-(4-ethylphenoxy)propanoylamino]benzamide
PubChem CID17170605
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC NameN-cyclohexyl-3-[2-(4-ethylphenoxy)propanoylamino]benzamide
SMILESCCc1ccc(OC(C)C(=O)Nc2cccc(C(=O)NC3CCCCC3)c2)cc1
InChIInChI=1S/C24H30N2O3/c1-3-18-12-14-22(15-13-18)29-17(2)23(27)26-21-11-7-8-19(16-21)24(28)25-20-9-5-4-6-10-20/h7-8,11-17,20H,3-6,9-10H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyCGMNNIPUMABBDP-UHFFFAOYSA-N
XLogP4.72
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 ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-3-[[2-[(4-propan-2-yloxyphenyl)methylamino]acetyl]amino]benzamide
CID 54845258
N-cyclopropyl-2-(4-ethylphenoxy)propanamide
CID 60625156
3-[2-(2-butan-2-ylphenoxy)butanoylamino]-N-cyclohexylbenzamide
CID 17170670
methyl 3-[2-(4-ethoxyphenoxy)propanoylamino]benzoate
CID 53267144
3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]-N-cyclohexylbenzamide
CID 17170552
2-chloro-5-[2-(4-chlorophenoxy)propanoylamino]-N-cyclohexylbenzamide
CID 17188484
(2R)-N-(3-acetylphenyl)-2-[4-(3-oxobutyl)phenoxy]propanamide
CID 51906069
3-[2-(4-propan-2-ylphenoxy)propanoylamino]-N-propylbenzamide
CID 17222714
N-cyclohexyl-3-[(2,2-diphenylacetyl)amino]benzamide
CID 2239978
N-cyclohexyl-3-(methoxyamino)benzamide
CID 142229646
3-[[(2S)-2-(4-chloro-2-methylphenoxy)propanoyl]amino]-N-cyclopropylbenzamide
CID 30126849
N-cyclopropyl-3-[[2-(3-ethylphenoxy)acetyl]amino]benzamide
CID 26993706

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[2-(4-ethylphenoxy)propanoylamino]benzamide?
The IUPAC name of N-cyclohexyl-3-[2-(4-ethylphenoxy)propanoylamino]benzamide (CID 17170605) is N-cyclohexyl-3-[2-(4-ethylphenoxy)propanoylamino]benzamide.
What is the SMILES notation for N-cyclohexyl-3-[2-(4-ethylphenoxy)propanoylamino]benzamide?
The canonical SMILES for N-cyclohexyl-3-[2-(4-ethylphenoxy)propanoylamino]benzamide is CCc1ccc(OC(C)C(=O)Nc2cccc(C(=O)NC3CCCCC3)c2)cc1.
What is the InChIKey of N-cyclohexyl-3-[2-(4-ethylphenoxy)propanoylamino]benzamide?
The InChIKey is CGMNNIPUMABBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-3-18-12-14-22(15-13-18)29-17(2)23(27)26-21-11-7-8-19(16-21)24(28)25-20-9-5-4-6-10-20/h7-8,11-17,20H,3-6,9-10H2,1-2H3,(H,25,28)(H,26,27).
What are the key properties of N-cyclohexyl-3-[2-(4-ethylphenoxy)propanoylamino]benzamide?
N-cyclohexyl-3-[2-(4-ethylphenoxy)propanoylamino]benzamide has a molecular weight of 394.52 g/mol, XLogP of 4.72, 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-(4-ethylphenoxy)propanoylamino]benzamide is sourced from PubChem (CID 17170605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).