N-cyclohexyl-2-[2-(2,6-dimethylphenoxy)propanoylamino]-N-methylbenzamide

C25H32N2O3 — CID 4958547

IUPACN-cyclohexyl-2-[2-(2,6-dimethylphenoxy)propanoylamino]-N-methylbenzamide
SMILESCc1cccc(C)c1OC(C)C(=O)Nc1ccccc1C(=O)N(C)C1CCCCC1
InChIInChI=1S/C25H32N2O3/c1-17-11-10-12-18(2)23(17)30-19(3)24(28)26-22-16-9-8-15-21(22)25(29)27(4)20-13-6-5-7-14-20/h8-12,15-16,19-20H,5-7,13-14H2,1-4H3,(H,26,28)
InChIKeyVOKBBNRGVYQQDX-UHFFFAOYSA-N
MW408.54 g/mol
LogP5.11
Rot. Bonds6

About N-cyclohexyl-2-[2-(2,6-dimethylphenoxy)propanoylamino]-N-methylbenzamide

N-cyclohexyl-2-[2-(2,6-dimethylphenoxy)propanoylamino]-N-methylbenzamide (PubChem CID 4958547) has the molecular formula C25H32N2O3 and a molecular weight of 408.54 g/mol. Its IUPAC name is N-cyclohexyl-2-[2-(2,6-dimethylphenoxy)propanoylamino]-N-methylbenzamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[2-(2,6-dimethylphenoxy)propanoylamino]-N-methylbenzamide
PubChem CID4958547
Molecular FormulaC25H32N2O3
Molecular Weight408.54 g/mol
Exact Mass408.24
IUPAC NameN-cyclohexyl-2-[2-(2,6-dimethylphenoxy)propanoylamino]-N-methylbenzamide
SMILESCc1cccc(C)c1OC(C)C(=O)Nc1ccccc1C(=O)N(C)C1CCCCC1
InChIInChI=1S/C25H32N2O3/c1-17-11-10-12-18(2)23(17)30-19(3)24(28)26-22-16-9-8-15-21(22)25(29)27(4)20-13-6-5-7-14-20/h8-12,15-16,19-20H,5-7,13-14H2,1-4H3,(H,26,28)
InChIKeyVOKBBNRGVYQQDX-UHFFFAOYSA-N
XLogP5.11
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.54
LogP ≤ 55.11
H-Bond Donors ≤ 51
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-N-methyl-2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]benzamide
CID 9205655
2-(2,6-dimethylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]propanamide
CID 4958548
2-(2,6-dimethylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 4958532
2-[[(2S)-2-(2,6-dimethylphenoxy)propanoyl]amino]-N-ethylbenzamide
CID 9297715
N-cyclohexyl-N-methyl-2-[(3-methylbenzoyl)amino]benzamide
CID 4938871
N-cyclohexyl-N-methyl-2-(2-methylpropanoylcarbamothioylamino)benzamide
CID 4939111
N-cyclohexyl-2-(cyclopropanecarbonylamino)-N-methylbenzamide
CID 4938931
2-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]-N-cyclohexylbenzamide
CID 4961027
N-cyclohexyl-N-methyl-2-[(2-naphthalen-1-ylacetyl)amino]benzamide
CID 4938970
N-cyclohexyl-2-[(2-methoxybenzoyl)amino]-N-methylbenzamide
CID 4938981
(2S)-N-(2-chlorophenyl)-2-(2,6-dimethylphenoxy)propanamide
CID 9297165

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[2-(2,6-dimethylphenoxy)propanoylamino]-N-methylbenzamide?
The IUPAC name of N-cyclohexyl-2-[2-(2,6-dimethylphenoxy)propanoylamino]-N-methylbenzamide (CID 4958547) is N-cyclohexyl-2-[2-(2,6-dimethylphenoxy)propanoylamino]-N-methylbenzamide.
What is the SMILES notation for N-cyclohexyl-2-[2-(2,6-dimethylphenoxy)propanoylamino]-N-methylbenzamide?
The canonical SMILES for N-cyclohexyl-2-[2-(2,6-dimethylphenoxy)propanoylamino]-N-methylbenzamide is Cc1cccc(C)c1OC(C)C(=O)Nc1ccccc1C(=O)N(C)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[2-(2,6-dimethylphenoxy)propanoylamino]-N-methylbenzamide?
The InChIKey is VOKBBNRGVYQQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O3/c1-17-11-10-12-18(2)23(17)30-19(3)24(28)26-22-16-9-8-15-21(22)25(29)27(4)20-13-6-5-7-14-20/h8-12,15-16,19-20H,5-7,13-14H2,1-4H3,(H,26,28).
What are the key properties of N-cyclohexyl-2-[2-(2,6-dimethylphenoxy)propanoylamino]-N-methylbenzamide?
N-cyclohexyl-2-[2-(2,6-dimethylphenoxy)propanoylamino]-N-methylbenzamide has a molecular weight of 408.54 g/mol, XLogP of 5.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[2-(2,6-dimethylphenoxy)propanoylamino]-N-methylbenzamide is sourced from PubChem (CID 4958547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).