2-(5-methyl-2-propan-2-ylphenoxy)-N-[(1R)-1-phenylethyl]acetamide

C20H25NO2 — CID 921036

IUPAC2-(5-methyl-2-propan-2-ylphenoxy)-N-[(1R)-1-phenylethyl]acetamide
SMILESCc1ccc(C(C)C)c(OCC(=O)N[C@H](C)c2ccccc2)c1
InChIInChI=1S/C20H25NO2/c1-14(2)18-11-10-15(3)12-19(18)23-13-20(22)21-16(4)17-8-6-5-7-9-17/h5-12,14,16H,13H2,1-4H3,(H,21,22)/t16-/m1/s1
InChIKeyKRYFKLVCLHBANA-MRXNPFEDSA-N
MW311.43 g/mol
LogP4.37
Rot. Bonds6

About 2-(5-methyl-2-propan-2-ylphenoxy)-N-[(1R)-1-phenylethyl]acetamide

2-(5-methyl-2-propan-2-ylphenoxy)-N-[(1R)-1-phenylethyl]acetamide (PubChem CID 921036) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 2-(5-methyl-2-propan-2-ylphenoxy)-N-[(1R)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-(5-methyl-2-propan-2-ylphenoxy)-N-[(1R)-1-phenylethyl]acetamide
PubChem CID921036
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name2-(5-methyl-2-propan-2-ylphenoxy)-N-[(1R)-1-phenylethyl]acetamide
SMILESCc1ccc(C(C)C)c(OCC(=O)N[C@H](C)c2ccccc2)c1
InChIInChI=1S/C20H25NO2/c1-14(2)18-11-10-15(3)12-19(18)23-13-20(22)21-16(4)17-8-6-5-7-9-17/h5-12,14,16H,13H2,1-4H3,(H,21,22)/t16-/m1/s1
InChIKeyKRYFKLVCLHBANA-MRXNPFEDSA-N
XLogP4.37
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 43877767
N-[(4-methoxyphenyl)-phenylmethyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 53338538
2-(5-methyl-2-propan-2-ylphenoxy)-N-[(S)-phenyl(pyridin-2-yl)methyl]acetamide
CID 25408467
2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-(1-phenylethyl)acetamide
CID 2792510
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 55338862
2-(5-methyl-2-propan-2-ylphenoxy)-N-[(Z)-[(2R)-2-phenylpropylidene]amino]acetamide
CID 7728220
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-methylpropyl)acetamide
CID 18823962
2-(2-ethoxyphenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 731794
2-(2,6-dimethoxy-4-methylphenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 7695512
2-(3-methylphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 879297
2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzoic acid
CID 4863455
2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 681895

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-propan-2-ylphenoxy)-N-[(1R)-1-phenylethyl]acetamide?
The IUPAC name of 2-(5-methyl-2-propan-2-ylphenoxy)-N-[(1R)-1-phenylethyl]acetamide (CID 921036) is 2-(5-methyl-2-propan-2-ylphenoxy)-N-[(1R)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-(5-methyl-2-propan-2-ylphenoxy)-N-[(1R)-1-phenylethyl]acetamide?
The canonical SMILES for 2-(5-methyl-2-propan-2-ylphenoxy)-N-[(1R)-1-phenylethyl]acetamide is Cc1ccc(C(C)C)c(OCC(=O)N[C@H](C)c2ccccc2)c1.
What is the InChIKey of 2-(5-methyl-2-propan-2-ylphenoxy)-N-[(1R)-1-phenylethyl]acetamide?
The InChIKey is KRYFKLVCLHBANA-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H25NO2/c1-14(2)18-11-10-15(3)12-19(18)23-13-20(22)21-16(4)17-8-6-5-7-9-17/h5-12,14,16H,13H2,1-4H3,(H,21,22)/t16-/m1/s1.
What are the key properties of 2-(5-methyl-2-propan-2-ylphenoxy)-N-[(1R)-1-phenylethyl]acetamide?
2-(5-methyl-2-propan-2-ylphenoxy)-N-[(1R)-1-phenylethyl]acetamide has a molecular weight of 311.43 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-propan-2-ylphenoxy)-N-[(1R)-1-phenylethyl]acetamide is sourced from PubChem (CID 921036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).