N-(4-butylphenyl)-2-naphthalen-1-ylacetamide

C22H23NO — CID 7314094

IUPACN-(4-butylphenyl)-2-naphthalen-1-ylacetamide
SMILESCCCCc1ccc(NC(=O)Cc2cccc3ccccc23)cc1
InChIInChI=1S/C22H23NO/c1-2-3-7-17-12-14-20(15-13-17)23-22(24)16-19-10-6-9-18-8-4-5-11-21(18)19/h4-6,8-15H,2-3,7,16H2,1H3,(H,23,24)
InChIKeyLLAIOMGMKJUPJT-UHFFFAOYSA-N
MW317.43 g/mol
LogP5.36
Rot. Bonds6

About N-(4-butylphenyl)-2-naphthalen-1-ylacetamide

N-(4-butylphenyl)-2-naphthalen-1-ylacetamide (PubChem CID 7314094) has the molecular formula C22H23NO and a molecular weight of 317.43 g/mol. Its IUPAC name is N-(4-butylphenyl)-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-2-naphthalen-1-ylacetamide
PubChem CID7314094
Molecular FormulaC22H23NO
Molecular Weight317.43 g/mol
Exact Mass317.18
IUPAC NameN-(4-butylphenyl)-2-naphthalen-1-ylacetamide
SMILESCCCCc1ccc(NC(=O)Cc2cccc3ccccc23)cc1
InChIInChI=1S/C22H23NO/c1-2-3-7-17-12-14-20(15-13-17)23-22(24)16-19-10-6-9-18-8-4-5-11-21(18)19/h4-6,8-15H,2-3,7,16H2,1H3,(H,23,24)
InChIKeyLLAIOMGMKJUPJT-UHFFFAOYSA-N
XLogP5.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.43
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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1-(4-butylphenyl)-3-[[2-(naphthalen-1-ylmethylsulfanyl)acetyl]amino]thiourea
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N-(4-butylphenyl)-4-phenylbutanamide
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2-(1,2-benzoxazol-3-yl)-N-(4-butylphenyl)acetamide
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N-methyl-4-[(2-naphthalen-1-ylacetyl)amino]benzamide
CID 8700251
2-naphthalen-1-yl-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide
CID 38175338
N-butyl-2-naphthalen-1-ylacetamide
CID 56993604
2-phenyl-N-(4-propylphenyl)acetamide
CID 126501660
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CID 2206380

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-2-naphthalen-1-ylacetamide?
The IUPAC name of N-(4-butylphenyl)-2-naphthalen-1-ylacetamide (CID 7314094) is N-(4-butylphenyl)-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-(4-butylphenyl)-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-(4-butylphenyl)-2-naphthalen-1-ylacetamide is CCCCc1ccc(NC(=O)Cc2cccc3ccccc23)cc1.
What is the InChIKey of N-(4-butylphenyl)-2-naphthalen-1-ylacetamide?
The InChIKey is LLAIOMGMKJUPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO/c1-2-3-7-17-12-14-20(15-13-17)23-22(24)16-19-10-6-9-18-8-4-5-11-21(18)19/h4-6,8-15H,2-3,7,16H2,1H3,(H,23,24).
What are the key properties of N-(4-butylphenyl)-2-naphthalen-1-ylacetamide?
N-(4-butylphenyl)-2-naphthalen-1-ylacetamide has a molecular weight of 317.43 g/mol, XLogP of 5.36, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 7314094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).