N-benzhydryl-2-(2-tert-butyl-4-methylphenoxy)acetamide

C26H29NO2 — CID 19169265

IUPACN-benzhydryl-2-(2-tert-butyl-4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NC(c2ccccc2)c2ccccc2)c(C(C)(C)C)c1
InChIInChI=1S/C26H29NO2/c1-19-15-16-23(22(17-19)26(2,3)4)29-18-24(28)27-25(20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-17,25H,18H2,1-4H3,(H,27,28)
InChIKeySASYWESCJVQBJM-UHFFFAOYSA-N
MW387.52 g/mol
LogP5.58
Rot. Bonds6

About N-benzhydryl-2-(2-tert-butyl-4-methylphenoxy)acetamide

N-benzhydryl-2-(2-tert-butyl-4-methylphenoxy)acetamide (PubChem CID 19169265) has the molecular formula C26H29NO2 and a molecular weight of 387.52 g/mol. Its IUPAC name is N-benzhydryl-2-(2-tert-butyl-4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-benzhydryl-2-(2-tert-butyl-4-methylphenoxy)acetamide
PubChem CID19169265
Molecular FormulaC26H29NO2
Molecular Weight387.52 g/mol
Exact Mass387.22
IUPAC NameN-benzhydryl-2-(2-tert-butyl-4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NC(c2ccccc2)c2ccccc2)c(C(C)(C)C)c1
InChIInChI=1S/C26H29NO2/c1-19-15-16-23(22(17-19)26(2,3)4)29-18-24(28)27-25(20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-17,25H,18H2,1-4H3,(H,27,28)
InChIKeySASYWESCJVQBJM-UHFFFAOYSA-N
XLogP5.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.52
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzhydryl-2-(4-bromo-2-tert-butylphenoxy)acetamide
CID 19171974
N-[2-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]ethyl]-2-phenoxyacetamide
CID 108541189
2-(2-ethoxyphenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide
CID 8798273
2-(4-bromo-2-chlorophenoxy)-N-[(4-methylphenyl)-phenylmethyl]acetamide
CID 43917017
2-(2-bromo-4-chlorophenoxy)-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide
CID 92679394
2-(2-iodophenoxy)-N-[(4-methylphenyl)-phenylmethyl]acetamide
CID 43926563
3-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]propanoic acid
CID 9157836
2-(2,5-dimethylphenoxy)-N-[(2-methylphenyl)-phenylmethyl]acetamide
CID 43909084
methyl 2-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]benzoate
CID 19169245
N-[(4-methoxyphenyl)-phenylmethyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 53338538
2-[[2-(2-tert-butyl-5-methylphenoxy)acetyl]amino]propanoic acid
CID 16642061
N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-(2,4-ditert-butylphenoxy)acetohydrazide
CID 17356768

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2-(2-tert-butyl-4-methylphenoxy)acetamide?
The IUPAC name of N-benzhydryl-2-(2-tert-butyl-4-methylphenoxy)acetamide (CID 19169265) is N-benzhydryl-2-(2-tert-butyl-4-methylphenoxy)acetamide.
What is the SMILES notation for N-benzhydryl-2-(2-tert-butyl-4-methylphenoxy)acetamide?
The canonical SMILES for N-benzhydryl-2-(2-tert-butyl-4-methylphenoxy)acetamide is Cc1ccc(OCC(=O)NC(c2ccccc2)c2ccccc2)c(C(C)(C)C)c1.
What is the InChIKey of N-benzhydryl-2-(2-tert-butyl-4-methylphenoxy)acetamide?
The InChIKey is SASYWESCJVQBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO2/c1-19-15-16-23(22(17-19)26(2,3)4)29-18-24(28)27-25(20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-17,25H,18H2,1-4H3,(H,27,28).
What are the key properties of N-benzhydryl-2-(2-tert-butyl-4-methylphenoxy)acetamide?
N-benzhydryl-2-(2-tert-butyl-4-methylphenoxy)acetamide has a molecular weight of 387.52 g/mol, XLogP of 5.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2-(2-tert-butyl-4-methylphenoxy)acetamide is sourced from PubChem (CID 19169265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).