N-cyclohexyl-3-[[2-(2,6-dimethylphenoxy)acetyl]amino]benzamide

C23H28N2O3 — CID 17170486

IUPACN-cyclohexyl-3-[[2-(2,6-dimethylphenoxy)acetyl]amino]benzamide
SMILESCc1cccc(C)c1OCC(=O)Nc1cccc(C(=O)NC2CCCCC2)c1
InChIInChI=1S/C23H28N2O3/c1-16-8-6-9-17(2)22(16)28-15-21(26)24-20-13-7-10-18(14-20)23(27)25-19-11-4-3-5-12-19/h6-10,13-14,19H,3-5,11-12,15H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyDNRQEYGTGMODBR-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.38
Rot. Bonds6

About N-cyclohexyl-3-[[2-(2,6-dimethylphenoxy)acetyl]amino]benzamide

N-cyclohexyl-3-[[2-(2,6-dimethylphenoxy)acetyl]amino]benzamide (PubChem CID 17170486) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-cyclohexyl-3-[[2-(2,6-dimethylphenoxy)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[[2-(2,6-dimethylphenoxy)acetyl]amino]benzamide
PubChem CID17170486
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC NameN-cyclohexyl-3-[[2-(2,6-dimethylphenoxy)acetyl]amino]benzamide
SMILESCc1cccc(C)c1OCC(=O)Nc1cccc(C(=O)NC2CCCCC2)c1
InChIInChI=1S/C23H28N2O3/c1-16-8-6-9-17(2)22(16)28-15-21(26)24-20-13-7-10-18(14-20)23(27)25-19-11-4-3-5-12-19/h6-10,13-14,19H,3-5,11-12,15H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyDNRQEYGTGMODBR-UHFFFAOYSA-N
XLogP4.38
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-3-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzamide
CID 24581450
N-cyclohexyl-3-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzamide
CID 17170482
N,N'-bis[3-(cyclohexylcarbamoyl)phenyl]decanediamide
CID 17170648
3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]-N-cyclohexylbenzamide
CID 17170552
3-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N-(3-ethoxypropyl)benzamide
CID 55801610
methyl 3-[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethoxy]benzoate
CID 42157013
3-(4-chlorobutanoylamino)-N-cyclohexylbenzamide
CID 17170672
N-cyclohexyl-3-(methoxyamino)benzamide
CID 142229646
3-[[2-[4-(butanoylamino)anilino]-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54831098
[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2,4,6-trimethylbenzoate
CID 42039111
N-cyclopropyl-3-[[2-(3-ethylphenoxy)acetyl]amino]benzamide
CID 26993706
N-cyclohexyl-3-[[2-[3-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54831160

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[[2-(2,6-dimethylphenoxy)acetyl]amino]benzamide?
The IUPAC name of N-cyclohexyl-3-[[2-(2,6-dimethylphenoxy)acetyl]amino]benzamide (CID 17170486) is N-cyclohexyl-3-[[2-(2,6-dimethylphenoxy)acetyl]amino]benzamide.
What is the SMILES notation for N-cyclohexyl-3-[[2-(2,6-dimethylphenoxy)acetyl]amino]benzamide?
The canonical SMILES for N-cyclohexyl-3-[[2-(2,6-dimethylphenoxy)acetyl]amino]benzamide is Cc1cccc(C)c1OCC(=O)Nc1cccc(C(=O)NC2CCCCC2)c1.
What is the InChIKey of N-cyclohexyl-3-[[2-(2,6-dimethylphenoxy)acetyl]amino]benzamide?
The InChIKey is DNRQEYGTGMODBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-16-8-6-9-17(2)22(16)28-15-21(26)24-20-13-7-10-18(14-20)23(27)25-19-11-4-3-5-12-19/h6-10,13-14,19H,3-5,11-12,15H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of N-cyclohexyl-3-[[2-(2,6-dimethylphenoxy)acetyl]amino]benzamide?
N-cyclohexyl-3-[[2-(2,6-dimethylphenoxy)acetyl]amino]benzamide has a molecular weight of 380.49 g/mol, XLogP of 4.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[[2-(2,6-dimethylphenoxy)acetyl]amino]benzamide is sourced from PubChem (CID 17170486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).