1-[4-(2,2-dimethylpropanoylamino)phenyl]-N-(2-phenylethyl)cyclohexane-1-carboxamide

C26H34N2O2 — CID 20972775

IUPAC1-[4-(2,2-dimethylpropanoylamino)phenyl]-N-(2-phenylethyl)cyclohexane-1-carboxamide
SMILESCC(C)(C)C(=O)Nc1ccc(C2(C(=O)NCCc3ccccc3)CCCCC2)cc1
InChIInChI=1S/C26H34N2O2/c1-25(2,3)23(29)28-22-14-12-21(13-15-22)26(17-8-5-9-18-26)24(30)27-19-16-20-10-6-4-7-11-20/h4,6-7,10-15H,5,8-9,16-19H2,1-3H3,(H,27,30)(H,28,29)
InChIKeyNORXPTYDXCGMDR-UHFFFAOYSA-N
MW406.57 g/mol
LogP5.23
Rot. Bonds6

About 1-[4-(2,2-dimethylpropanoylamino)phenyl]-N-(2-phenylethyl)cyclohexane-1-carboxamide

1-[4-(2,2-dimethylpropanoylamino)phenyl]-N-(2-phenylethyl)cyclohexane-1-carboxamide (PubChem CID 20972775) has the molecular formula C26H34N2O2 and a molecular weight of 406.57 g/mol. Its IUPAC name is 1-[4-(2,2-dimethylpropanoylamino)phenyl]-N-(2-phenylethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-[4-(2,2-dimethylpropanoylamino)phenyl]-N-(2-phenylethyl)cyclohexane-1-carboxamide
PubChem CID20972775
Molecular FormulaC26H34N2O2
Molecular Weight406.57 g/mol
Exact Mass406.26
IUPAC Name1-[4-(2,2-dimethylpropanoylamino)phenyl]-N-(2-phenylethyl)cyclohexane-1-carboxamide
SMILESCC(C)(C)C(=O)Nc1ccc(C2(C(=O)NCCc3ccccc3)CCCCC2)cc1
InChIInChI=1S/C26H34N2O2/c1-25(2,3)23(29)28-22-14-12-21(13-15-22)26(17-8-5-9-18-26)24(30)27-19-16-20-10-6-4-7-11-20/h4,6-7,10-15H,5,8-9,16-19H2,1-3H3,(H,27,30)(H,28,29)
InChIKeyNORXPTYDXCGMDR-UHFFFAOYSA-N
XLogP5.23
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.57
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[4-[1-(2-phenylethylcarbamoyl)cyclopropyl]phenyl]benzamide
CID 50821534
N-[2-(4-methoxyphenyl)ethyl]-1-phenylcyclopentane-1-carboxamide
CID 4682158
4-chloro-N-[4-[1-(2-phenylethylcarbamoyl)cyclopropyl]phenyl]benzamide
CID 50821648
1-(4-fluorophenyl)-N-(4-phenylbutyl)cyclohexane-1-carboxamide
CID 58842299
N-(2-phenylethyl)-1-[4-[(4-propylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 50822306
3-methyl-N-[4-[1-(2-phenylethylcarbamoyl)cyclopropyl]phenyl]benzamide;2,2,2-trifluoroacetic acid
CID 146062393
N-[4-(2-hydroxyethyl)phenyl]-1-phenylcyclopentane-1-carboxamide
CID 5073224
N-(2,2-dimethylpropyl)-1-phenylcyclohexane-1-carboxamide
CID 110474016
2-chloro-N-[4-[1-(3-phenylpropylcarbamoyl)cyclopropyl]phenyl]benzamide
CID 50821422
N-[2-(4-aminophenyl)ethyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide
CID 119549251
N-[4-[1-(3-methylbutylcarbamoyl)cyclobutyl]phenyl]benzamide
CID 46384098
N-benzyl-1-[4-(propanoylamino)phenyl]cyclopropane-1-carboxamide
CID 50821432

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,2-dimethylpropanoylamino)phenyl]-N-(2-phenylethyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-[4-(2,2-dimethylpropanoylamino)phenyl]-N-(2-phenylethyl)cyclohexane-1-carboxamide (CID 20972775) is 1-[4-(2,2-dimethylpropanoylamino)phenyl]-N-(2-phenylethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-[4-(2,2-dimethylpropanoylamino)phenyl]-N-(2-phenylethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-[4-(2,2-dimethylpropanoylamino)phenyl]-N-(2-phenylethyl)cyclohexane-1-carboxamide is CC(C)(C)C(=O)Nc1ccc(C2(C(=O)NCCc3ccccc3)CCCCC2)cc1.
What is the InChIKey of 1-[4-(2,2-dimethylpropanoylamino)phenyl]-N-(2-phenylethyl)cyclohexane-1-carboxamide?
The InChIKey is NORXPTYDXCGMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O2/c1-25(2,3)23(29)28-22-14-12-21(13-15-22)26(17-8-5-9-18-26)24(30)27-19-16-20-10-6-4-7-11-20/h4,6-7,10-15H,5,8-9,16-19H2,1-3H3,(H,27,30)(H,28,29).
What are the key properties of 1-[4-(2,2-dimethylpropanoylamino)phenyl]-N-(2-phenylethyl)cyclohexane-1-carboxamide?
1-[4-(2,2-dimethylpropanoylamino)phenyl]-N-(2-phenylethyl)cyclohexane-1-carboxamide has a molecular weight of 406.57 g/mol, XLogP of 5.23, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,2-dimethylpropanoylamino)phenyl]-N-(2-phenylethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 20972775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).