N-[(4-tert-butylphenyl)methyl]-2-naphthalen-2-ylacetamide

C23H25NO — CID 68703244

IUPACN-[(4-tert-butylphenyl)methyl]-2-naphthalen-2-ylacetamide
SMILESCC(C)(C)c1ccc(CNC(=O)Cc2ccc3ccccc3c2)cc1
InChIInChI=1S/C23H25NO/c1-23(2,3)21-12-9-17(10-13-21)16-24-22(25)15-18-8-11-19-6-4-5-7-20(19)14-18/h4-14H,15-16H2,1-3H3,(H,24,25)
InChIKeySYCNAPVCSXNZKR-UHFFFAOYSA-N
MW331.46 g/mol
LogP5.00
Rot. Bonds4

About N-[(4-tert-butylphenyl)methyl]-2-naphthalen-2-ylacetamide

N-[(4-tert-butylphenyl)methyl]-2-naphthalen-2-ylacetamide (PubChem CID 68703244) has the molecular formula C23H25NO and a molecular weight of 331.46 g/mol. Its IUPAC name is N-[(4-tert-butylphenyl)methyl]-2-naphthalen-2-ylacetamide.

Molecular Properties

Compound NameN-[(4-tert-butylphenyl)methyl]-2-naphthalen-2-ylacetamide
PubChem CID68703244
Molecular FormulaC23H25NO
Molecular Weight331.46 g/mol
Exact Mass331.19
IUPAC NameN-[(4-tert-butylphenyl)methyl]-2-naphthalen-2-ylacetamide
SMILESCC(C)(C)c1ccc(CNC(=O)Cc2ccc3ccccc3c2)cc1
InChIInChI=1S/C23H25NO/c1-23(2,3)21-12-9-17(10-13-21)16-24-22(25)15-18-8-11-19-6-4-5-7-20(19)14-18/h4-14H,15-16H2,1-3H3,(H,24,25)
InChIKeySYCNAPVCSXNZKR-UHFFFAOYSA-N
XLogP5.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[4-(1-aminoethyl)phenyl]methyl]-2-naphthalen-2-ylacetamide
CID 155821496
N-(2-hydroxy-2-phenylpropyl)-2-naphthalen-2-ylacetamide
CID 111335174
N-[(2-fluorophenyl)methyl]-2-naphthalen-2-ylacetamide
CID 8870478
N-(4-amino-2,2-dimethylbutyl)-2-naphthalen-2-ylacetamide
CID 106139776
N-[(4-tert-butylphenyl)methyl]-2-hydroxyacetamide
CID 69343221
N-[[4-[1-[(2-chloroacetyl)amino]ethyl]phenyl]methyl]-2-naphthalen-2-ylacetamide
CID 154874968
N-(naphthalen-2-ylmethyl)benzamide
CID 47161333
N-[(2R)-2-hydroxypropyl]-2-naphthalen-2-ylacetamide
CID 83032079
3-[(4-tert-butylphenyl)methylamino]-3-oxopropanoic acid
CID 115163373
2-naphthalen-2-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103723083
tert-butyl N-[4-[(2-naphthalen-2-ylacetyl)amino]butyl]carbamate
CID 19989025
N-[(2-methoxy-4-pyridinyl)methyl]-2-naphthalen-2-ylacetamide
CID 18167281

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylphenyl)methyl]-2-naphthalen-2-ylacetamide?
The IUPAC name of N-[(4-tert-butylphenyl)methyl]-2-naphthalen-2-ylacetamide (CID 68703244) is N-[(4-tert-butylphenyl)methyl]-2-naphthalen-2-ylacetamide.
What is the SMILES notation for N-[(4-tert-butylphenyl)methyl]-2-naphthalen-2-ylacetamide?
The canonical SMILES for N-[(4-tert-butylphenyl)methyl]-2-naphthalen-2-ylacetamide is CC(C)(C)c1ccc(CNC(=O)Cc2ccc3ccccc3c2)cc1.
What is the InChIKey of N-[(4-tert-butylphenyl)methyl]-2-naphthalen-2-ylacetamide?
The InChIKey is SYCNAPVCSXNZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO/c1-23(2,3)21-12-9-17(10-13-21)16-24-22(25)15-18-8-11-19-6-4-5-7-20(19)14-18/h4-14H,15-16H2,1-3H3,(H,24,25).
What are the key properties of N-[(4-tert-butylphenyl)methyl]-2-naphthalen-2-ylacetamide?
N-[(4-tert-butylphenyl)methyl]-2-naphthalen-2-ylacetamide has a molecular weight of 331.46 g/mol, XLogP of 5.00, 4 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-naphthalen-2-ylacetamide is sourced from PubChem (CID 68703244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).