2-[[4-(4-bromophenyl)oxan-4-yl]amino]-N-(4-methylcyclohexyl)acetamide

C20H29BrN2O2 — CID 51124508

IUPAC2-[[4-(4-bromophenyl)oxan-4-yl]amino]-N-(4-methylcyclohexyl)acetamide
SMILESCC1CCC(NC(=O)CNC2(c3ccc(Br)cc3)CCOCC2)CC1
InChIInChI=1S/C20H29BrN2O2/c1-15-2-8-18(9-3-15)23-19(24)14-22-20(10-12-25-13-11-20)16-4-6-17(21)7-5-16/h4-7,15,18,22H,2-3,8-14H2,1H3,(H,23,24)
InChIKeyHWESFAVPUIMSGT-UHFFFAOYSA-N
MW409.37 g/mol
LogP3.74
Rot. Bonds5

About 2-[[4-(4-bromophenyl)oxan-4-yl]amino]-N-(4-methylcyclohexyl)acetamide

2-[[4-(4-bromophenyl)oxan-4-yl]amino]-N-(4-methylcyclohexyl)acetamide (PubChem CID 51124508) has the molecular formula C20H29BrN2O2 and a molecular weight of 409.37 g/mol. Its IUPAC name is 2-[[4-(4-bromophenyl)oxan-4-yl]amino]-N-(4-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-[[4-(4-bromophenyl)oxan-4-yl]amino]-N-(4-methylcyclohexyl)acetamide
PubChem CID51124508
Molecular FormulaC20H29BrN2O2
Molecular Weight409.37 g/mol
Exact Mass408.14
IUPAC Name2-[[4-(4-bromophenyl)oxan-4-yl]amino]-N-(4-methylcyclohexyl)acetamide
SMILESCC1CCC(NC(=O)CNC2(c3ccc(Br)cc3)CCOCC2)CC1
InChIInChI=1S/C20H29BrN2O2/c1-15-2-8-18(9-3-15)23-19(24)14-22-20(10-12-25-13-11-20)16-4-6-17(21)7-5-16/h4-7,15,18,22H,2-3,8-14H2,1H3,(H,23,24)
InChIKeyHWESFAVPUIMSGT-UHFFFAOYSA-N
XLogP3.74
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.37
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-bromophenyl)oxan-4-yl]amino]-N-(4-methylcyclohexyl)acetamide?
The IUPAC name of 2-[[4-(4-bromophenyl)oxan-4-yl]amino]-N-(4-methylcyclohexyl)acetamide (CID 51124508) is 2-[[4-(4-bromophenyl)oxan-4-yl]amino]-N-(4-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-[[4-(4-bromophenyl)oxan-4-yl]amino]-N-(4-methylcyclohexyl)acetamide?
The canonical SMILES for 2-[[4-(4-bromophenyl)oxan-4-yl]amino]-N-(4-methylcyclohexyl)acetamide is CC1CCC(NC(=O)CNC2(c3ccc(Br)cc3)CCOCC2)CC1.
What is the InChIKey of 2-[[4-(4-bromophenyl)oxan-4-yl]amino]-N-(4-methylcyclohexyl)acetamide?
The InChIKey is HWESFAVPUIMSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29BrN2O2/c1-15-2-8-18(9-3-15)23-19(24)14-22-20(10-12-25-13-11-20)16-4-6-17(21)7-5-16/h4-7,15,18,22H,2-3,8-14H2,1H3,(H,23,24).
What are the key properties of 2-[[4-(4-bromophenyl)oxan-4-yl]amino]-N-(4-methylcyclohexyl)acetamide?
2-[[4-(4-bromophenyl)oxan-4-yl]amino]-N-(4-methylcyclohexyl)acetamide has a molecular weight of 409.37 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-bromophenyl)oxan-4-yl]amino]-N-(4-methylcyclohexyl)acetamide is sourced from PubChem (CID 51124508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).