4-[(5-hydroxy-2-adamantyl)carbamoylamino]-N-(2-methylpropyl)benzamide

C22H31N3O3 — CID 164627437

IUPAC4-[(5-hydroxy-2-adamantyl)carbamoylamino]-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1ccc(NC(=O)NC2C3CC4CC2CC(O)(C4)C3)cc1
InChIInChI=1S/C22H31N3O3/c1-13(2)12-23-20(26)15-3-5-18(6-4-15)24-21(27)25-19-16-7-14-8-17(19)11-22(28,9-14)10-16/h3-6,13-14,16-17,19,28H,7-12H2,1-2H3,(H,23,26)(H2,24,25,27)
InChIKeyUJGILMICPMBVAY-UHFFFAOYSA-N
MW385.51 g/mol
LogP3.13
Rot. Bonds5

About 4-[(5-hydroxy-2-adamantyl)carbamoylamino]-N-(2-methylpropyl)benzamide

4-[(5-hydroxy-2-adamantyl)carbamoylamino]-N-(2-methylpropyl)benzamide (PubChem CID 164627437) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is 4-[(5-hydroxy-2-adamantyl)carbamoylamino]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name4-[(5-hydroxy-2-adamantyl)carbamoylamino]-N-(2-methylpropyl)benzamide
PubChem CID164627437
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC Name4-[(5-hydroxy-2-adamantyl)carbamoylamino]-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1ccc(NC(=O)NC2C3CC4CC2CC(O)(C4)C3)cc1
InChIInChI=1S/C22H31N3O3/c1-13(2)12-23-20(26)15-3-5-18(6-4-15)24-21(27)25-19-16-7-14-8-17(19)11-22(28,9-14)10-16/h3-6,13-14,16-17,19,28H,7-12H2,1-2H3,(H,23,26)(H2,24,25,27)
InChIKeyUJGILMICPMBVAY-UHFFFAOYSA-N
XLogP3.13
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 53.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-hydroxy-2-adamantyl)carbamoylamino]-N-(2-methylpropyl)benzamide?
The IUPAC name of 4-[(5-hydroxy-2-adamantyl)carbamoylamino]-N-(2-methylpropyl)benzamide (CID 164627437) is 4-[(5-hydroxy-2-adamantyl)carbamoylamino]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 4-[(5-hydroxy-2-adamantyl)carbamoylamino]-N-(2-methylpropyl)benzamide?
The canonical SMILES for 4-[(5-hydroxy-2-adamantyl)carbamoylamino]-N-(2-methylpropyl)benzamide is CC(C)CNC(=O)c1ccc(NC(=O)NC2C3CC4CC2CC(O)(C4)C3)cc1.
What is the InChIKey of 4-[(5-hydroxy-2-adamantyl)carbamoylamino]-N-(2-methylpropyl)benzamide?
The InChIKey is UJGILMICPMBVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3/c1-13(2)12-23-20(26)15-3-5-18(6-4-15)24-21(27)25-19-16-7-14-8-17(19)11-22(28,9-14)10-16/h3-6,13-14,16-17,19,28H,7-12H2,1-2H3,(H,23,26)(H2,24,25,27).
What are the key properties of 4-[(5-hydroxy-2-adamantyl)carbamoylamino]-N-(2-methylpropyl)benzamide?
4-[(5-hydroxy-2-adamantyl)carbamoylamino]-N-(2-methylpropyl)benzamide has a molecular weight of 385.51 g/mol, XLogP of 3.13, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-hydroxy-2-adamantyl)carbamoylamino]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 164627437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).