N-[(4-tert-butylphenyl)methyl]-2,2-diphenylacetamide

C25H27NO — CID 2225639

IUPACN-[(4-tert-butylphenyl)methyl]-2,2-diphenylacetamide
SMILESCC(C)(C)c1ccc(CNC(=O)C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H27NO/c1-25(2,3)22-16-14-19(15-17-22)18-26-24(27)23(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-17,23H,18H2,1-3H3,(H,26,27)
InChIKeyBBXWCQFLUCPMBP-UHFFFAOYSA-N
MW357.50 g/mol
LogP5.43
Rot. Bonds5

About N-[(4-tert-butylphenyl)methyl]-2,2-diphenylacetamide

N-[(4-tert-butylphenyl)methyl]-2,2-diphenylacetamide (PubChem CID 2225639) has the molecular formula C25H27NO and a molecular weight of 357.50 g/mol. Its IUPAC name is N-[(4-tert-butylphenyl)methyl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[(4-tert-butylphenyl)methyl]-2,2-diphenylacetamide
PubChem CID2225639
Molecular FormulaC25H27NO
Molecular Weight357.50 g/mol
Exact Mass357.21
IUPAC NameN-[(4-tert-butylphenyl)methyl]-2,2-diphenylacetamide
SMILESCC(C)(C)c1ccc(CNC(=O)C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H27NO/c1-25(2,3)22-16-14-19(15-17-22)18-26-24(27)23(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-17,23H,18H2,1-3H3,(H,26,27)
InChIKeyBBXWCQFLUCPMBP-UHFFFAOYSA-N
XLogP5.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.50
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-N-[(4-tert-butylphenyl)methyl]-3-(4-hydroxyphenyl)-2-phenylpropanamide
CID 7381172
4-tert-butyl-N'-(2,2-diphenylacetyl)benzohydrazide
CID 3260570
N-(4-tert-butylphenyl)-2,2-diphenylacetamide
CID 7914210
benzyl N-[[4-[[(2,2-diphenylacetyl)amino]methyl]phenyl]methyl]carbamate
CID 21035397
2-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 102432449
N-benzyl-2-(4-tert-butylanilino)propanamide
CID 134062813
N-benzyl-2,2-bis(4-chlorophenyl)acetamide
CID 1144143
N-[(3-methylphenyl)methyl]-2,2-diphenylacetamide
CID 38293786
N-(2-amino-2-methylpropyl)-2,2-diphenylacetamide
CID 119628942
tert-butyl N-[[4-[(2,2-diphenylacetyl)amino]phenyl]methyl]carbamate
CID 25186226
3-[(4-tert-butylphenyl)methylamino]-3-oxopropanoic acid
CID 115163373
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,2-diphenylacetamide
CID 37426840

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylphenyl)methyl]-2,2-diphenylacetamide?
The IUPAC name of N-[(4-tert-butylphenyl)methyl]-2,2-diphenylacetamide (CID 2225639) is N-[(4-tert-butylphenyl)methyl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[(4-tert-butylphenyl)methyl]-2,2-diphenylacetamide?
The canonical SMILES for N-[(4-tert-butylphenyl)methyl]-2,2-diphenylacetamide is CC(C)(C)c1ccc(CNC(=O)C(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-[(4-tert-butylphenyl)methyl]-2,2-diphenylacetamide?
The InChIKey is BBXWCQFLUCPMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO/c1-25(2,3)22-16-14-19(15-17-22)18-26-24(27)23(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-17,23H,18H2,1-3H3,(H,26,27).
What are the key properties of N-[(4-tert-butylphenyl)methyl]-2,2-diphenylacetamide?
N-[(4-tert-butylphenyl)methyl]-2,2-diphenylacetamide has a molecular weight of 357.50 g/mol, XLogP of 5.43, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylphenyl)methyl]-2,2-diphenylacetamide is sourced from PubChem (CID 2225639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).