N-cyclohexyl-N-methyl-2-[[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]amino]benzamide

C27H36N2O3 — CID 17093283

IUPACN-cyclohexyl-N-methyl-2-[[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]amino]benzamide
SMILESCCC(C)(C)c1ccc(OCC(=O)Nc2ccccc2C(=O)N(C)C2CCCCC2)cc1
InChIInChI=1S/C27H36N2O3/c1-5-27(2,3)20-15-17-22(18-16-20)32-19-25(30)28-24-14-10-9-13-23(24)26(31)29(4)21-11-7-6-8-12-21/h9-10,13-18,21H,5-8,11-12,19H2,1-4H3,(H,28,30)
InChIKeyQGKSFCADQIUGCR-UHFFFAOYSA-N
MW436.60 g/mol
LogP5.80
Rot. Bonds8

About N-cyclohexyl-N-methyl-2-[[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]amino]benzamide

N-cyclohexyl-N-methyl-2-[[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]amino]benzamide (PubChem CID 17093283) has the molecular formula C27H36N2O3 and a molecular weight of 436.60 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-2-[[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-2-[[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]amino]benzamide
PubChem CID17093283
Molecular FormulaC27H36N2O3
Molecular Weight436.60 g/mol
Exact Mass436.27
IUPAC NameN-cyclohexyl-N-methyl-2-[[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]amino]benzamide
SMILESCCC(C)(C)c1ccc(OCC(=O)Nc2ccccc2C(=O)N(C)C2CCCCC2)cc1
InChIInChI=1S/C27H36N2O3/c1-5-27(2,3)20-15-17-22(18-16-20)32-19-25(30)28-24-14-10-9-13-23(24)26(31)29(4)21-11-7-6-8-12-21/h9-10,13-18,21H,5-8,11-12,19H2,1-4H3,(H,28,30)
InChIKeyQGKSFCADQIUGCR-UHFFFAOYSA-N
XLogP5.80
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.60
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-[[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]amino]benzamide
CID 17093296
2-[4-(2-methylbutan-2-yl)phenoxy]-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 17093269
N-(2-fluorophenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17093259
N-(2-ethoxyphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17341028
N-cyclohexyl-N-methyl-2-[[4-(3-methylbutoxy)benzoyl]amino]benzamide
CID 4948334
N-cyclohexyl-2-(cyclopropanecarbonylamino)-N-methylbenzamide
CID 4938931
N-cyclohexyl-N-methyl-2-[(2-naphthalen-1-ylacetyl)amino]benzamide
CID 4938970
N-cyclohexyl-N-methyl-2-[[3-(2-phenoxyethoxy)benzoyl]amino]benzamide
CID 4955039
N-cyclohexyl-N-methyl-2-[(2-pyrrolidin-2-ylacetyl)amino]benzamide
CID 119741232
N-cyclohexyl-2-[[2-(4-methylphenoxy)acetyl]amino]benzamide
CID 1226844
2-[[2-(4-bromophenoxy)acetyl]amino]-N,N-dimethylbenzamide
CID 4942499
N-cyclohexyl-2-[(2-methoxybenzoyl)amino]-N-methylbenzamide
CID 4938981

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-2-[[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]amino]benzamide?
The IUPAC name of N-cyclohexyl-N-methyl-2-[[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]amino]benzamide (CID 17093283) is N-cyclohexyl-N-methyl-2-[[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]amino]benzamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-2-[[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]amino]benzamide?
The canonical SMILES for N-cyclohexyl-N-methyl-2-[[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]amino]benzamide is CCC(C)(C)c1ccc(OCC(=O)Nc2ccccc2C(=O)N(C)C2CCCCC2)cc1.
What is the InChIKey of N-cyclohexyl-N-methyl-2-[[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]amino]benzamide?
The InChIKey is QGKSFCADQIUGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N2O3/c1-5-27(2,3)20-15-17-22(18-16-20)32-19-25(30)28-24-14-10-9-13-23(24)26(31)29(4)21-11-7-6-8-12-21/h9-10,13-18,21H,5-8,11-12,19H2,1-4H3,(H,28,30).
What are the key properties of N-cyclohexyl-N-methyl-2-[[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]amino]benzamide?
N-cyclohexyl-N-methyl-2-[[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]amino]benzamide has a molecular weight of 436.60 g/mol, XLogP of 5.80, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-2-[[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]amino]benzamide is sourced from PubChem (CID 17093283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).