2-(4-ethylphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide

C20H25NO2 — CID 94843764

IUPAC2-(4-ethylphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
SMILESCCc1ccc(OCC(=O)N[C@H](CC)c2ccc(C)cc2)cc1
InChIInChI=1S/C20H25NO2/c1-4-16-8-12-18(13-9-16)23-14-20(22)21-19(5-2)17-10-6-15(3)7-11-17/h6-13,19H,4-5,14H2,1-3H3,(H,21,22)/t19-/m1/s1
InChIKeyACKIGYIVCGXYMV-LJQANCHMSA-N
MW311.43 g/mol
LogP4.20
Rot. Bonds7

About 2-(4-ethylphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide

2-(4-ethylphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide (PubChem CID 94843764) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 2-(4-ethylphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-(4-ethylphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
PubChem CID94843764
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name2-(4-ethylphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
SMILESCCc1ccc(OCC(=O)N[C@H](CC)c2ccc(C)cc2)cc1
InChIInChI=1S/C20H25NO2/c1-4-16-8-12-18(13-9-16)23-14-20(22)21-19(5-2)17-10-6-15(3)7-11-17/h6-13,19H,4-5,14H2,1-3H3,(H,21,22)/t19-/m1/s1
InChIKeyACKIGYIVCGXYMV-LJQANCHMSA-N
XLogP4.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide?
The IUPAC name of 2-(4-ethylphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide (CID 94843764) is 2-(4-ethylphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide.
What is the SMILES notation for 2-(4-ethylphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide?
The canonical SMILES for 2-(4-ethylphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide is CCc1ccc(OCC(=O)N[C@H](CC)c2ccc(C)cc2)cc1.
What is the InChIKey of 2-(4-ethylphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide?
The InChIKey is ACKIGYIVCGXYMV-LJQANCHMSA-N. The full InChI is InChI=1S/C20H25NO2/c1-4-16-8-12-18(13-9-16)23-14-20(22)21-19(5-2)17-10-6-15(3)7-11-17/h6-13,19H,4-5,14H2,1-3H3,(H,21,22)/t19-/m1/s1.
What are the key properties of 2-(4-ethylphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide?
2-(4-ethylphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide has a molecular weight of 311.43 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide is sourced from PubChem (CID 94843764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).