2-propan-2-yloxy-N-[[1-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]methyl]benzamide

C24H39N3O2 — CID 56675803

IUPAC2-propan-2-yloxy-N-[[1-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]methyl]benzamide
SMILESCC(C)Oc1ccccc1C(=O)NCC1(N2CCN(C(C)C)CC2)CCCCC1
InChIInChI=1S/C24H39N3O2/c1-19(2)26-14-16-27(17-15-26)24(12-8-5-9-13-24)18-25-23(28)21-10-6-7-11-22(21)29-20(3)4/h6-7,10-11,19-20H,5,8-9,12-18H2,1-4H3,(H,25,28)
InChIKeyUZNIOGPVPVRLBZ-UHFFFAOYSA-N
MW401.60 g/mol
LogP3.93
Rot. Bonds7

About 2-propan-2-yloxy-N-[[1-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]methyl]benzamide

2-propan-2-yloxy-N-[[1-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]methyl]benzamide (PubChem CID 56675803) has the molecular formula C24H39N3O2 and a molecular weight of 401.60 g/mol. Its IUPAC name is 2-propan-2-yloxy-N-[[1-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]methyl]benzamide.

Molecular Properties

Compound Name2-propan-2-yloxy-N-[[1-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]methyl]benzamide
PubChem CID56675803
Molecular FormulaC24H39N3O2
Molecular Weight401.60 g/mol
Exact Mass401.30
IUPAC Name2-propan-2-yloxy-N-[[1-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]methyl]benzamide
SMILESCC(C)Oc1ccccc1C(=O)NCC1(N2CCN(C(C)C)CC2)CCCCC1
InChIInChI=1S/C24H39N3O2/c1-19(2)26-14-16-27(17-15-26)24(12-8-5-9-13-24)18-25-23(28)21-10-6-7-11-22(21)29-20(3)4/h6-7,10-11,19-20H,5,8-9,12-18H2,1-4H3,(H,25,28)
InChIKeyUZNIOGPVPVRLBZ-UHFFFAOYSA-N
XLogP3.93
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.60
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxy-N-[[1-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]methyl]benzamide?
The IUPAC name of 2-propan-2-yloxy-N-[[1-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]methyl]benzamide (CID 56675803) is 2-propan-2-yloxy-N-[[1-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]methyl]benzamide.
What is the SMILES notation for 2-propan-2-yloxy-N-[[1-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]methyl]benzamide?
The canonical SMILES for 2-propan-2-yloxy-N-[[1-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]methyl]benzamide is CC(C)Oc1ccccc1C(=O)NCC1(N2CCN(C(C)C)CC2)CCCCC1.
What is the InChIKey of 2-propan-2-yloxy-N-[[1-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]methyl]benzamide?
The InChIKey is UZNIOGPVPVRLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39N3O2/c1-19(2)26-14-16-27(17-15-26)24(12-8-5-9-13-24)18-25-23(28)21-10-6-7-11-22(21)29-20(3)4/h6-7,10-11,19-20H,5,8-9,12-18H2,1-4H3,(H,25,28).
What are the key properties of 2-propan-2-yloxy-N-[[1-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]methyl]benzamide?
2-propan-2-yloxy-N-[[1-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]methyl]benzamide has a molecular weight of 401.60 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxy-N-[[1-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]methyl]benzamide is sourced from PubChem (CID 56675803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).