N-benzyl-N-tert-butyl-2-naphthalen-1-ylacetamide

C23H25NO — CID 2203262

IUPACN-benzyl-N-tert-butyl-2-naphthalen-1-ylacetamide
SMILESCC(C)(C)N(Cc1ccccc1)C(=O)Cc1cccc2ccccc12
InChIInChI=1S/C23H25NO/c1-23(2,3)24(17-18-10-5-4-6-11-18)22(25)16-20-14-9-13-19-12-7-8-15-21(19)20/h4-15H,16-17H2,1-3H3
InChIKeyBXIBEDCEBSNAGZ-UHFFFAOYSA-N
MW331.46 g/mol
LogP5.21
Rot. Bonds4

About N-benzyl-N-tert-butyl-2-naphthalen-1-ylacetamide

N-benzyl-N-tert-butyl-2-naphthalen-1-ylacetamide (PubChem CID 2203262) has the molecular formula C23H25NO and a molecular weight of 331.46 g/mol. Its IUPAC name is N-benzyl-N-tert-butyl-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-benzyl-N-tert-butyl-2-naphthalen-1-ylacetamide
PubChem CID2203262
Molecular FormulaC23H25NO
Molecular Weight331.46 g/mol
Exact Mass331.19
IUPAC NameN-benzyl-N-tert-butyl-2-naphthalen-1-ylacetamide
SMILESCC(C)(C)N(Cc1ccccc1)C(=O)Cc1cccc2ccccc12
InChIInChI=1S/C23H25NO/c1-23(2,3)24(17-18-10-5-4-6-11-18)22(25)16-20-14-9-13-19-12-7-8-15-21(19)20/h4-15H,16-17H2,1-3H3
InChIKeyBXIBEDCEBSNAGZ-UHFFFAOYSA-N
XLogP5.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.46
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzyl-N-tert-butylnaphthalene-1-carboxamide
CID 10914114
N-benzyl-N-tert-butyl-2-phenoxyacetamide
CID 2927672
1-naphthalen-1-yl-3-phenylpropan-2-one
CID 5314621
tert-butyl-[[4-[(naphthalene-1-carbonylamino)methyl]phenyl]methyl]carbamic acid
CID 68877183
N-benzyl-N-(furan-2-ylmethyl)-2-naphthalen-1-ylacetamide
CID 18830847
N-benzyl-N-tert-butyl-2,2,2-trichloroacetamide
CID 15830435
acetic acid;2-naphthalen-1-ylacetic acid
CID 67744523
tetrakis(2-naphthalen-1-ylacetic acid);samarium
CID 175232376
3-[methyl-(2-naphthalen-1-ylacetyl)amino]propanoic acid
CID 60989846
4,4-dimethyl-1-naphthalen-1-ylpentan-2-one
CID 61055866
potassium;2-naphthalen-1-ylacetic acid;hydroxide
CID 174974988
N-benzyl-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-methylpropanamide
CID 84562999

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-tert-butyl-2-naphthalen-1-ylacetamide?
The IUPAC name of N-benzyl-N-tert-butyl-2-naphthalen-1-ylacetamide (CID 2203262) is N-benzyl-N-tert-butyl-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-benzyl-N-tert-butyl-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-benzyl-N-tert-butyl-2-naphthalen-1-ylacetamide is CC(C)(C)N(Cc1ccccc1)C(=O)Cc1cccc2ccccc12.
What is the InChIKey of N-benzyl-N-tert-butyl-2-naphthalen-1-ylacetamide?
The InChIKey is BXIBEDCEBSNAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO/c1-23(2,3)24(17-18-10-5-4-6-11-18)22(25)16-20-14-9-13-19-12-7-8-15-21(19)20/h4-15H,16-17H2,1-3H3.
What are the key properties of N-benzyl-N-tert-butyl-2-naphthalen-1-ylacetamide?
N-benzyl-N-tert-butyl-2-naphthalen-1-ylacetamide has a molecular weight of 331.46 g/mol, XLogP of 5.21, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-tert-butyl-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 2203262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).