4-methoxy-N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]benzamide

C18H27NO2 — CID 46887731

IUPAC4-methoxy-N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]benzamide
SMILESCOc1ccc(C(=O)N[C@@H]2C[C@H](C)CC[C@H]2C(C)C)cc1
InChIInChI=1S/C18H27NO2/c1-12(2)16-10-5-13(3)11-17(16)19-18(20)14-6-8-15(21-4)9-7-14/h6-9,12-13,16-17H,5,10-11H2,1-4H3,(H,19,20)/t13-,16+,17-/m1/s1
InChIKeyABRBNROSGNKGSY-XOKHGSTOSA-N
MW289.42 g/mol
LogP3.89
Rot. Bonds4

About 4-methoxy-N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]benzamide

4-methoxy-N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]benzamide (PubChem CID 46887731) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 4-methoxy-N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]benzamide
PubChem CID46887731
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name4-methoxy-N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]benzamide
SMILESCOc1ccc(C(=O)N[C@@H]2C[C@H](C)CC[C@H]2C(C)C)cc1
InChIInChI=1S/C18H27NO2/c1-12(2)16-10-5-13(3)11-17(16)19-18(20)14-6-8-15(21-4)9-7-14/h6-9,12-13,16-17H,5,10-11H2,1-4H3,(H,19,20)/t13-,16+,17-/m1/s1
InChIKeyABRBNROSGNKGSY-XOKHGSTOSA-N
XLogP3.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]benzamide?
The IUPAC name of 4-methoxy-N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]benzamide (CID 46887731) is 4-methoxy-N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]benzamide?
The canonical SMILES for 4-methoxy-N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]benzamide is COc1ccc(C(=O)N[C@@H]2C[C@H](C)CC[C@H]2C(C)C)cc1.
What is the InChIKey of 4-methoxy-N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]benzamide?
The InChIKey is ABRBNROSGNKGSY-XOKHGSTOSA-N. The full InChI is InChI=1S/C18H27NO2/c1-12(2)16-10-5-13(3)11-17(16)19-18(20)14-6-8-15(21-4)9-7-14/h6-9,12-13,16-17H,5,10-11H2,1-4H3,(H,19,20)/t13-,16+,17-/m1/s1.
What are the key properties of 4-methoxy-N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]benzamide?
4-methoxy-N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]benzamide has a molecular weight of 289.42 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]benzamide is sourced from PubChem (CID 46887731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).