N-(4-tert-butylphenyl)-2-(quinolin-8-ylamino)acetamide

C21H23N3O — CID 109008347

IUPACN-(4-tert-butylphenyl)-2-(quinolin-8-ylamino)acetamide
SMILESCC(C)(C)c1ccc(NC(=O)CNc2cccc3cccnc23)cc1
InChIInChI=1S/C21H23N3O/c1-21(2,3)16-9-11-17(12-10-16)24-19(25)14-23-18-8-4-6-15-7-5-13-22-20(15)18/h4-13,23H,14H2,1-3H3,(H,24,25)
InChIKeyWNNSVMCLLZBAPO-UHFFFAOYSA-N
MW333.44 g/mol
LogP4.58
Rot. Bonds4

About N-(4-tert-butylphenyl)-2-(quinolin-8-ylamino)acetamide

N-(4-tert-butylphenyl)-2-(quinolin-8-ylamino)acetamide (PubChem CID 109008347) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-(quinolin-8-ylamino)acetamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2-(quinolin-8-ylamino)acetamide
PubChem CID109008347
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC NameN-(4-tert-butylphenyl)-2-(quinolin-8-ylamino)acetamide
SMILESCC(C)(C)c1ccc(NC(=O)CNc2cccc3cccnc23)cc1
InChIInChI=1S/C21H23N3O/c1-21(2,3)16-9-11-17(12-10-16)24-19(25)14-23-18-8-4-6-15-7-5-13-22-20(15)18/h4-13,23H,14H2,1-3H3,(H,24,25)
InChIKeyWNNSVMCLLZBAPO-UHFFFAOYSA-N
XLogP4.58
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-tert-butylphenyl)-N'-quinolin-8-ylpropanediamide
CID 108954735
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(quinolin-8-ylamino)acetamide
CID 109010669
N-(2,6-diethylphenyl)-2-(quinolin-8-ylamino)acetamide
CID 109008069
N-(3-chloro-4-methoxyphenyl)-2-(quinolin-8-ylamino)acetamide
CID 109008849
N-(2-bromophenyl)-2-(quinolin-8-ylamino)acetamide
CID 109010779
N-(3-cyanophenyl)-2-(quinolin-8-ylamino)acetamide
CID 109010987
2-(4-ethoxyanilino)-N-quinolin-8-ylacetamide
CID 109009200
2,2-dimethyl-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]propanamide
CID 17424107
2-(2,5-dimethylanilino)-N-quinolin-8-ylacetamide
CID 109007395
N-(2,5-dichlorophenyl)-2-(quinolin-8-ylamino)acetamide
CID 109010978
3-methyl-N-[4-(quinolin-8-ylamino)phenyl]butanamide
CID 112989286
2-(4-phenylmethoxyanilino)-N-quinolin-8-ylacetamide
CID 109010747

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2-(quinolin-8-ylamino)acetamide?
The IUPAC name of N-(4-tert-butylphenyl)-2-(quinolin-8-ylamino)acetamide (CID 109008347) is N-(4-tert-butylphenyl)-2-(quinolin-8-ylamino)acetamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-2-(quinolin-8-ylamino)acetamide?
The canonical SMILES for N-(4-tert-butylphenyl)-2-(quinolin-8-ylamino)acetamide is CC(C)(C)c1ccc(NC(=O)CNc2cccc3cccnc23)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-2-(quinolin-8-ylamino)acetamide?
The InChIKey is WNNSVMCLLZBAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-21(2,3)16-9-11-17(12-10-16)24-19(25)14-23-18-8-4-6-15-7-5-13-22-20(15)18/h4-13,23H,14H2,1-3H3,(H,24,25).
What are the key properties of N-(4-tert-butylphenyl)-2-(quinolin-8-ylamino)acetamide?
N-(4-tert-butylphenyl)-2-(quinolin-8-ylamino)acetamide has a molecular weight of 333.44 g/mol, XLogP of 4.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-2-(quinolin-8-ylamino)acetamide is sourced from PubChem (CID 109008347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).