2-(4-tert-butylphenyl)-N-methyl-N-[(1R)-1-phenylethyl]acetamide

C21H27NO — CID 53317090

IUPAC2-(4-tert-butylphenyl)-N-methyl-N-[(1R)-1-phenylethyl]acetamide
SMILESC[C@H](c1ccccc1)N(C)C(=O)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C21H27NO/c1-16(18-9-7-6-8-10-18)22(5)20(23)15-17-11-13-19(14-12-17)21(2,3)4/h6-14,16H,15H2,1-5H3/t16-/m1/s1
InChIKeyKIBITDAYIXRCIN-MRXNPFEDSA-N
MW309.45 g/mol
LogP4.75
Rot. Bonds4

About 2-(4-tert-butylphenyl)-N-methyl-N-[(1R)-1-phenylethyl]acetamide

2-(4-tert-butylphenyl)-N-methyl-N-[(1R)-1-phenylethyl]acetamide (PubChem CID 53317090) has the molecular formula C21H27NO and a molecular weight of 309.45 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-N-methyl-N-[(1R)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-N-methyl-N-[(1R)-1-phenylethyl]acetamide
PubChem CID53317090
Molecular FormulaC21H27NO
Molecular Weight309.45 g/mol
Exact Mass309.21
IUPAC Name2-(4-tert-butylphenyl)-N-methyl-N-[(1R)-1-phenylethyl]acetamide
SMILESC[C@H](c1ccccc1)N(C)C(=O)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C21H27NO/c1-16(18-9-7-6-8-10-18)22(5)20(23)15-17-11-13-19(14-12-17)21(2,3)4/h6-14,16H,15H2,1-5H3/t16-/m1/s1
InChIKeyKIBITDAYIXRCIN-MRXNPFEDSA-N
XLogP4.75
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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4-(1,1-Dimethylethyl)-N-(phenylmethyl)benzamide
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1,5-Dimethyl-3,3-diphenylpyrrolidin-2-one
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CID 809340

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-N-methyl-N-[(1R)-1-phenylethyl]acetamide?
The IUPAC name of 2-(4-tert-butylphenyl)-N-methyl-N-[(1R)-1-phenylethyl]acetamide (CID 53317090) is 2-(4-tert-butylphenyl)-N-methyl-N-[(1R)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-(4-tert-butylphenyl)-N-methyl-N-[(1R)-1-phenylethyl]acetamide?
The canonical SMILES for 2-(4-tert-butylphenyl)-N-methyl-N-[(1R)-1-phenylethyl]acetamide is C[C@H](c1ccccc1)N(C)C(=O)Cc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-N-methyl-N-[(1R)-1-phenylethyl]acetamide?
The InChIKey is KIBITDAYIXRCIN-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H27NO/c1-16(18-9-7-6-8-10-18)22(5)20(23)15-17-11-13-19(14-12-17)21(2,3)4/h6-14,16H,15H2,1-5H3/t16-/m1/s1.
What are the key properties of 2-(4-tert-butylphenyl)-N-methyl-N-[(1R)-1-phenylethyl]acetamide?
2-(4-tert-butylphenyl)-N-methyl-N-[(1R)-1-phenylethyl]acetamide has a molecular weight of 309.45 g/mol, XLogP of 4.75, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-N-methyl-N-[(1R)-1-phenylethyl]acetamide is sourced from PubChem (CID 53317090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).