2-(4-propan-2-ylphenoxy)-N-[(1S,2R)-2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]cyclohexyl]acetamide

C28H38N2O4 — CID 27870934

IUPAC2-(4-propan-2-ylphenoxy)-N-[(1S,2R)-2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]cyclohexyl]acetamide
SMILESCC(C)c1ccc(OCC(=O)N[C@H]2CCCC[C@H]2NC(=O)COc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C28H38N2O4/c1-19(2)21-9-13-23(14-10-21)33-17-27(31)29-25-7-5-6-8-26(25)30-28(32)18-34-24-15-11-22(12-16-24)20(3)4/h9-16,19-20,25-26H,5-8,17-18H2,1-4H3,(H,29,31)(H,30,32)/t25-,26+
InChIKeyOLDYIFYQPKEQTI-WMPKNSHKSA-N
MW466.62 g/mol
LogP4.93
Rot. Bonds10

About 2-(4-propan-2-ylphenoxy)-N-[(1S,2R)-2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]cyclohexyl]acetamide

2-(4-propan-2-ylphenoxy)-N-[(1S,2R)-2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]cyclohexyl]acetamide (PubChem CID 27870934) has the molecular formula C28H38N2O4 and a molecular weight of 466.62 g/mol. Its IUPAC name is 2-(4-propan-2-ylphenoxy)-N-[(1S,2R)-2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(4-propan-2-ylphenoxy)-N-[(1S,2R)-2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]cyclohexyl]acetamide
PubChem CID27870934
Molecular FormulaC28H38N2O4
Molecular Weight466.62 g/mol
Exact Mass466.28
IUPAC Name2-(4-propan-2-ylphenoxy)-N-[(1S,2R)-2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]cyclohexyl]acetamide
SMILESCC(C)c1ccc(OCC(=O)N[C@H]2CCCC[C@H]2NC(=O)COc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C28H38N2O4/c1-19(2)21-9-13-23(14-10-21)33-17-27(31)29-25-7-5-6-8-26(25)30-28(32)18-34-24-15-11-22(12-16-24)20(3)4/h9-16,19-20,25-26H,5-8,17-18H2,1-4H3,(H,29,31)(H,30,32)/t25-,26+
InChIKeyOLDYIFYQPKEQTI-WMPKNSHKSA-N
XLogP4.93
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.62
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(4-propan-2-ylphenoxy)-N-[(1S,2R)-2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]cyclohexyl]acetamide with MolForge

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Related Compounds

2-(4-methoxyphenoxy)-N-[(1R,2R)-2-[[2-(4-methoxyphenoxy)acetyl]amino]cyclohexyl]acetamide
CID 1015196
2-(4-methylphenoxy)-N-[(1S,2S)-2-[[2-(4-methylphenoxy)acetyl]amino]cyclohexyl]acetamide
CID 1012632
N-(cyclohexylcarbamoyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 7707104
2-[4-(1-aminoethyl)phenoxy]-N-cyclopentylacetamide
CID 43186036
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-propan-2-ylphenoxy)acetamide
CID 119458161
2-(4-ethoxyphenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide
CID 104956604
cis-(1R,2S)-2-[[[2-(4-propan-2-ylphenoxy)acetyl]amino]carbamoyl]cyclohexane-1-carboxylic acid
CID 17369998
N-[(3R)-1,1-dioxothiolan-3-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 7259878
N-[(3S)-1,1-dioxothiolan-3-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 7259881
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(4-propan-2-ylphenoxy)acetate
CID 8598408
cis-(1S,2R)-2-[[[2-(4-propan-2-ylphenoxy)acetyl]amino]carbamoyl]cyclohexane-1-carboxylate
CID 11898304
2-(4-propan-2-ylphenoxy)acetohydrazide
CID 968935

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylphenoxy)-N-[(1S,2R)-2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]cyclohexyl]acetamide?
The IUPAC name of 2-(4-propan-2-ylphenoxy)-N-[(1S,2R)-2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]cyclohexyl]acetamide (CID 27870934) is 2-(4-propan-2-ylphenoxy)-N-[(1S,2R)-2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]cyclohexyl]acetamide.
What is the SMILES notation for 2-(4-propan-2-ylphenoxy)-N-[(1S,2R)-2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]cyclohexyl]acetamide?
The canonical SMILES for 2-(4-propan-2-ylphenoxy)-N-[(1S,2R)-2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]cyclohexyl]acetamide is CC(C)c1ccc(OCC(=O)N[C@H]2CCCC[C@H]2NC(=O)COc2ccc(C(C)C)cc2)cc1.
What is the InChIKey of 2-(4-propan-2-ylphenoxy)-N-[(1S,2R)-2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]cyclohexyl]acetamide?
The InChIKey is OLDYIFYQPKEQTI-WMPKNSHKSA-N. The full InChI is InChI=1S/C28H38N2O4/c1-19(2)21-9-13-23(14-10-21)33-17-27(31)29-25-7-5-6-8-26(25)30-28(32)18-34-24-15-11-22(12-16-24)20(3)4/h9-16,19-20,25-26H,5-8,17-18H2,1-4H3,(H,29,31)(H,30,32)/t25-,26+.
What are the key properties of 2-(4-propan-2-ylphenoxy)-N-[(1S,2R)-2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]cyclohexyl]acetamide?
2-(4-propan-2-ylphenoxy)-N-[(1S,2R)-2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]cyclohexyl]acetamide has a molecular weight of 466.62 g/mol, XLogP of 4.93, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylphenoxy)-N-[(1S,2R)-2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]cyclohexyl]acetamide is sourced from PubChem (CID 27870934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).