[4-(dimethylamino)-4-phenyl-1-(2-phenylpropan-2-ylcarbamoyl)cyclohexyl]carbamic acid

C25H33N3O3 — CID 155409371

IUPAC[4-(dimethylamino)-4-phenyl-1-(2-phenylpropan-2-ylcarbamoyl)cyclohexyl]carbamic acid
SMILESCN(C)C1(c2ccccc2)CCC(NC(=O)O)(C(=O)NC(C)(C)c2ccccc2)CC1
InChIInChI=1S/C25H33N3O3/c1-23(2,19-11-7-5-8-12-19)26-21(29)24(27-22(30)31)15-17-25(18-16-24,28(3)4)20-13-9-6-10-14-20/h5-14,27H,15-18H2,1-4H3,(H,26,29)(H,30,31)
InChIKeyQKVFSADCFPUGLV-UHFFFAOYSA-N
MW423.56 g/mol
LogP4.08
Rot. Bonds6

About [4-(dimethylamino)-4-phenyl-1-(2-phenylpropan-2-ylcarbamoyl)cyclohexyl]carbamic acid

[4-(dimethylamino)-4-phenyl-1-(2-phenylpropan-2-ylcarbamoyl)cyclohexyl]carbamic acid (PubChem CID 155409371) has the molecular formula C25H33N3O3 and a molecular weight of 423.56 g/mol. Its IUPAC name is [4-(dimethylamino)-4-phenyl-1-(2-phenylpropan-2-ylcarbamoyl)cyclohexyl]carbamic acid.

Molecular Properties

Compound Name[4-(dimethylamino)-4-phenyl-1-(2-phenylpropan-2-ylcarbamoyl)cyclohexyl]carbamic acid
PubChem CID155409371
Molecular FormulaC25H33N3O3
Molecular Weight423.56 g/mol
Exact Mass423.25
IUPAC Name[4-(dimethylamino)-4-phenyl-1-(2-phenylpropan-2-ylcarbamoyl)cyclohexyl]carbamic acid
SMILESCN(C)C1(c2ccccc2)CCC(NC(=O)O)(C(=O)NC(C)(C)c2ccccc2)CC1
InChIInChI=1S/C25H33N3O3/c1-23(2,19-11-7-5-8-12-19)26-21(29)24(27-22(30)31)15-17-25(18-16-24,28(3)4)20-13-9-6-10-14-20/h5-14,27H,15-18H2,1-4H3,(H,26,29)(H,30,31)
InChIKeyQKVFSADCFPUGLV-UHFFFAOYSA-N
XLogP4.08
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)-4-phenyl-1-(2-phenylpropan-2-ylcarbamoyl)cyclohexyl]carbamic acid?
The IUPAC name of [4-(dimethylamino)-4-phenyl-1-(2-phenylpropan-2-ylcarbamoyl)cyclohexyl]carbamic acid (CID 155409371) is [4-(dimethylamino)-4-phenyl-1-(2-phenylpropan-2-ylcarbamoyl)cyclohexyl]carbamic acid.
What is the SMILES notation for [4-(dimethylamino)-4-phenyl-1-(2-phenylpropan-2-ylcarbamoyl)cyclohexyl]carbamic acid?
The canonical SMILES for [4-(dimethylamino)-4-phenyl-1-(2-phenylpropan-2-ylcarbamoyl)cyclohexyl]carbamic acid is CN(C)C1(c2ccccc2)CCC(NC(=O)O)(C(=O)NC(C)(C)c2ccccc2)CC1.
What is the InChIKey of [4-(dimethylamino)-4-phenyl-1-(2-phenylpropan-2-ylcarbamoyl)cyclohexyl]carbamic acid?
The InChIKey is QKVFSADCFPUGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O3/c1-23(2,19-11-7-5-8-12-19)26-21(29)24(27-22(30)31)15-17-25(18-16-24,28(3)4)20-13-9-6-10-14-20/h5-14,27H,15-18H2,1-4H3,(H,26,29)(H,30,31).
What are the key properties of [4-(dimethylamino)-4-phenyl-1-(2-phenylpropan-2-ylcarbamoyl)cyclohexyl]carbamic acid?
[4-(dimethylamino)-4-phenyl-1-(2-phenylpropan-2-ylcarbamoyl)cyclohexyl]carbamic acid has a molecular weight of 423.56 g/mol, XLogP of 4.08, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)-4-phenyl-1-(2-phenylpropan-2-ylcarbamoyl)cyclohexyl]carbamic acid is sourced from PubChem (CID 155409371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).