N-[2-[acetyl(quinolin-8-yl)amino]ethyl]-4-tert-butylbenzamide

C24H27N3O2 — CID 113063169

IUPACN-[2-[acetyl(quinolin-8-yl)amino]ethyl]-4-tert-butylbenzamide
SMILESCC(=O)N(CCNC(=O)c1ccc(C(C)(C)C)cc1)c1cccc2cccnc12
InChIInChI=1S/C24H27N3O2/c1-17(28)27(21-9-5-7-18-8-6-14-25-22(18)21)16-15-26-23(29)19-10-12-20(13-11-19)24(2,3)4/h5-14H,15-16H2,1-4H3,(H,26,29)
InChIKeyRIPXYPJWEOTGGY-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.32
Rot. Bonds5

About N-[2-[acetyl(quinolin-8-yl)amino]ethyl]-4-tert-butylbenzamide

N-[2-[acetyl(quinolin-8-yl)amino]ethyl]-4-tert-butylbenzamide (PubChem CID 113063169) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-[2-[acetyl(quinolin-8-yl)amino]ethyl]-4-tert-butylbenzamide.

Molecular Properties

Compound NameN-[2-[acetyl(quinolin-8-yl)amino]ethyl]-4-tert-butylbenzamide
PubChem CID113063169
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC NameN-[2-[acetyl(quinolin-8-yl)amino]ethyl]-4-tert-butylbenzamide
SMILESCC(=O)N(CCNC(=O)c1ccc(C(C)(C)C)cc1)c1cccc2cccnc12
InChIInChI=1S/C24H27N3O2/c1-17(28)27(21-9-5-7-18-8-6-14-25-22(18)21)16-15-26-23(29)19-10-12-20(13-11-19)24(2,3)4/h5-14H,15-16H2,1-4H3,(H,26,29)
InChIKeyRIPXYPJWEOTGGY-UHFFFAOYSA-N
XLogP4.32
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[acetyl(quinolin-8-yl)amino]ethyl]-3-fluorobenzamide
CID 113063161
methyl N-[2-[acetyl(quinolin-8-yl)amino]ethyl]carbamate
CID 113063198
N-[2-(N-acetyl-2-fluoroanilino)ethyl]-4-tert-butylbenzamide
CID 113059185
N-[2-(N-acetyl-2-methoxyanilino)ethyl]-4-tert-butylbenzamide
CID 113060452
N-[2-[acetyl(quinolin-8-yl)amino]ethyl]oxane-4-carboxamide
CID 113063202
N-[2-(butylsulfonylamino)ethyl]-N-quinolin-8-ylacetamide
CID 113063208
3-[acetyl(quinolin-8-yl)amino]-N-propan-2-ylpropanamide
CID 113133160
N-[2-(N-acetyl-4-tert-butylanilino)ethyl]-4-fluorobenzamide
CID 113059098
N-(4-acetylphenyl)-2-[acetyl(quinolin-8-yl)amino]acetamide
CID 113178758
2-[acetyl(quinolin-8-yl)amino]-N-pentylacetamide
CID 113178698
3-[acetyl(quinolin-8-yl)amino]-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 113133211
N-[2-[acetyl-[(3-methylphenyl)methyl]amino]ethyl]-4-tert-butylbenzamide
CID 113054239

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl(quinolin-8-yl)amino]ethyl]-4-tert-butylbenzamide?
The IUPAC name of N-[2-[acetyl(quinolin-8-yl)amino]ethyl]-4-tert-butylbenzamide (CID 113063169) is N-[2-[acetyl(quinolin-8-yl)amino]ethyl]-4-tert-butylbenzamide.
What is the SMILES notation for N-[2-[acetyl(quinolin-8-yl)amino]ethyl]-4-tert-butylbenzamide?
The canonical SMILES for N-[2-[acetyl(quinolin-8-yl)amino]ethyl]-4-tert-butylbenzamide is CC(=O)N(CCNC(=O)c1ccc(C(C)(C)C)cc1)c1cccc2cccnc12.
What is the InChIKey of N-[2-[acetyl(quinolin-8-yl)amino]ethyl]-4-tert-butylbenzamide?
The InChIKey is RIPXYPJWEOTGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-17(28)27(21-9-5-7-18-8-6-14-25-22(18)21)16-15-26-23(29)19-10-12-20(13-11-19)24(2,3)4/h5-14H,15-16H2,1-4H3,(H,26,29).
What are the key properties of N-[2-[acetyl(quinolin-8-yl)amino]ethyl]-4-tert-butylbenzamide?
N-[2-[acetyl(quinolin-8-yl)amino]ethyl]-4-tert-butylbenzamide has a molecular weight of 389.50 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl(quinolin-8-yl)amino]ethyl]-4-tert-butylbenzamide is sourced from PubChem (CID 113063169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).