4-propan-2-yl-N-[4-[(4-propan-2-ylbenzoyl)amino]cyclohexyl]benzamide

C26H34N2O2 — CID 1001424

IUPAC4-propan-2-yl-N-[4-[(4-propan-2-ylbenzoyl)amino]cyclohexyl]benzamide
SMILESCC(C)c1ccc(C(=O)NC2CCC(NC(=O)c3ccc(C(C)C)cc3)CC2)cc1
InChIInChI=1S/C26H34N2O2/c1-17(2)19-5-9-21(10-6-19)25(29)27-23-13-15-24(16-14-23)28-26(30)22-11-7-20(8-12-22)18(3)4/h5-12,17-18,23-24H,13-16H2,1-4H3,(H,27,29)(H,28,30)
InChIKeyHYIIPXDOWPLKRC-UHFFFAOYSA-N
MW406.57 g/mol
LogP5.40
Rot. Bonds6

About 4-propan-2-yl-N-[4-[(4-propan-2-ylbenzoyl)amino]cyclohexyl]benzamide

4-propan-2-yl-N-[4-[(4-propan-2-ylbenzoyl)amino]cyclohexyl]benzamide (PubChem CID 1001424) has the molecular formula C26H34N2O2 and a molecular weight of 406.57 g/mol. Its IUPAC name is 4-propan-2-yl-N-[4-[(4-propan-2-ylbenzoyl)amino]cyclohexyl]benzamide.

Molecular Properties

Compound Name4-propan-2-yl-N-[4-[(4-propan-2-ylbenzoyl)amino]cyclohexyl]benzamide
PubChem CID1001424
Molecular FormulaC26H34N2O2
Molecular Weight406.57 g/mol
Exact Mass406.26
IUPAC Name4-propan-2-yl-N-[4-[(4-propan-2-ylbenzoyl)amino]cyclohexyl]benzamide
SMILESCC(C)c1ccc(C(=O)NC2CCC(NC(=O)c3ccc(C(C)C)cc3)CC2)cc1
InChIInChI=1S/C26H34N2O2/c1-17(2)19-5-9-21(10-6-19)25(29)27-23-13-15-24(16-14-23)28-26(30)22-11-7-20(8-12-22)18(3)4/h5-12,17-18,23-24H,13-16H2,1-4H3,(H,27,29)(H,28,30)
InChIKeyHYIIPXDOWPLKRC-UHFFFAOYSA-N
XLogP5.40
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 ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(2-hydroxyethyl)cyclohexyl]-4-propan-2-ylbenzamide
CID 143724454
1-N-cyclohexyl-4-N-(4-propan-2-ylphenyl)benzene-1,4-dicarboxamide
CID 109044795
N-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-4-propan-2-ylbenzamide
CID 43603743
4-tert-butyl-N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]benzamide
CID 108561415
N-(1-benzylpiperidin-4-yl)-4-propan-2-ylbenzamide
CID 26681867
N-cyclopropyl-4-propan-2-ylbenzenecarbothioamide
CID 121340219
N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-4-propan-2-ylbenzamide
CID 8589992
N-(4-hydroxycyclohexyl)-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide
CID 60587824
N-cyclopropyl-4-(methylamino)benzamide
CID 62170956
N-(4-aminocyclohexyl)-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide
CID 119474628
N-[1-(3-chlorobenzoyl)piperidin-4-yl]-4-propan-2-ylbenzamide
CID 108564146
N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-4-propan-2-ylbenzamide
CID 108565214

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-N-[4-[(4-propan-2-ylbenzoyl)amino]cyclohexyl]benzamide?
The IUPAC name of 4-propan-2-yl-N-[4-[(4-propan-2-ylbenzoyl)amino]cyclohexyl]benzamide (CID 1001424) is 4-propan-2-yl-N-[4-[(4-propan-2-ylbenzoyl)amino]cyclohexyl]benzamide.
What is the SMILES notation for 4-propan-2-yl-N-[4-[(4-propan-2-ylbenzoyl)amino]cyclohexyl]benzamide?
The canonical SMILES for 4-propan-2-yl-N-[4-[(4-propan-2-ylbenzoyl)amino]cyclohexyl]benzamide is CC(C)c1ccc(C(=O)NC2CCC(NC(=O)c3ccc(C(C)C)cc3)CC2)cc1.
What is the InChIKey of 4-propan-2-yl-N-[4-[(4-propan-2-ylbenzoyl)amino]cyclohexyl]benzamide?
The InChIKey is HYIIPXDOWPLKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O2/c1-17(2)19-5-9-21(10-6-19)25(29)27-23-13-15-24(16-14-23)28-26(30)22-11-7-20(8-12-22)18(3)4/h5-12,17-18,23-24H,13-16H2,1-4H3,(H,27,29)(H,28,30).
What are the key properties of 4-propan-2-yl-N-[4-[(4-propan-2-ylbenzoyl)amino]cyclohexyl]benzamide?
4-propan-2-yl-N-[4-[(4-propan-2-ylbenzoyl)amino]cyclohexyl]benzamide has a molecular weight of 406.57 g/mol, XLogP of 5.40, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-N-[4-[(4-propan-2-ylbenzoyl)amino]cyclohexyl]benzamide is sourced from PubChem (CID 1001424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).