N-[3-[[2-(2,4-dimethylquinolin-3-yl)acetyl]amino]phenyl]-2,2-dimethylpropanamide

C24H27N3O2 — CID 55532542

IUPACN-[3-[[2-(2,4-dimethylquinolin-3-yl)acetyl]amino]phenyl]-2,2-dimethylpropanamide
SMILESCc1nc2ccccc2c(C)c1CC(=O)Nc1cccc(NC(=O)C(C)(C)C)c1
InChIInChI=1S/C24H27N3O2/c1-15-19-11-6-7-12-21(19)25-16(2)20(15)14-22(28)26-17-9-8-10-18(13-17)27-23(29)24(3,4)5/h6-13H,14H2,1-5H3,(H,26,28)(H,27,29)
InChIKeyDAMYDANYNIJMCA-UHFFFAOYSA-N
MW389.50 g/mol
LogP5.02
Rot. Bonds4

About N-[3-[[2-(2,4-dimethylquinolin-3-yl)acetyl]amino]phenyl]-2,2-dimethylpropanamide

N-[3-[[2-(2,4-dimethylquinolin-3-yl)acetyl]amino]phenyl]-2,2-dimethylpropanamide (PubChem CID 55532542) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-[3-[[2-(2,4-dimethylquinolin-3-yl)acetyl]amino]phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-[[2-(2,4-dimethylquinolin-3-yl)acetyl]amino]phenyl]-2,2-dimethylpropanamide
PubChem CID55532542
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC NameN-[3-[[2-(2,4-dimethylquinolin-3-yl)acetyl]amino]phenyl]-2,2-dimethylpropanamide
SMILESCc1nc2ccccc2c(C)c1CC(=O)Nc1cccc(NC(=O)C(C)(C)C)c1
InChIInChI=1S/C24H27N3O2/c1-15-19-11-6-7-12-21(19)25-16(2)20(15)14-22(28)26-17-9-8-10-18(13-17)27-23(29)24(3,4)5/h6-13H,14H2,1-5H3,(H,26,28)(H,27,29)
InChIKeyDAMYDANYNIJMCA-UHFFFAOYSA-N
XLogP5.02
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.50
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dimethylquinolin-3-yl)-N-(3-ethynylphenyl)acetamide
CID 39230533
2-(2,4-dimethylquinolin-3-yl)-N-pyridin-3-ylacetamide
CID 32789123
2-(2,4-dimethylquinolin-3-yl)-N-(4-iodophenyl)acetamide
CID 8886793
N-(3,4-dimethoxyphenyl)-2-(2,4-dimethylquinolin-3-yl)acetamide
CID 26364618
2-(2,4-dimethylquinolin-3-yl)-N-quinolin-3-ylacetamide
CID 18146501
N-(2-amino-2-oxoethyl)-3-[[2-(2,4-dimethylquinolin-3-yl)acetyl]amino]benzamide
CID 36561953
2-(2,4-dimethylquinolin-3-yl)-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 8852353
N-[3-(3-cyanopropoxy)phenyl]-2-(2,4-dimethylquinolin-3-yl)acetamide
CID 52698958
2-(2,4-dimethylquinolin-3-yl)-N-(2-ethylphenyl)acetamide
CID 8839348
2,2-dimethyl-N-[3-[[2-(2-methylphenyl)acetyl]amino]phenyl]propanamide
CID 26163504
N-(2-bromophenyl)-2-(2,4-dimethylquinolin-3-yl)acetamide
CID 31289097
N-[4-(difluoromethylsulfanyl)phenyl]-2-(2,4-dimethylquinolin-3-yl)acetamide
CID 8701267

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(2,4-dimethylquinolin-3-yl)acetyl]amino]phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3-[[2-(2,4-dimethylquinolin-3-yl)acetyl]amino]phenyl]-2,2-dimethylpropanamide (CID 55532542) is N-[3-[[2-(2,4-dimethylquinolin-3-yl)acetyl]amino]phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-[[2-(2,4-dimethylquinolin-3-yl)acetyl]amino]phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-[[2-(2,4-dimethylquinolin-3-yl)acetyl]amino]phenyl]-2,2-dimethylpropanamide is Cc1nc2ccccc2c(C)c1CC(=O)Nc1cccc(NC(=O)C(C)(C)C)c1.
What is the InChIKey of N-[3-[[2-(2,4-dimethylquinolin-3-yl)acetyl]amino]phenyl]-2,2-dimethylpropanamide?
The InChIKey is DAMYDANYNIJMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-15-19-11-6-7-12-21(19)25-16(2)20(15)14-22(28)26-17-9-8-10-18(13-17)27-23(29)24(3,4)5/h6-13H,14H2,1-5H3,(H,26,28)(H,27,29).
What are the key properties of N-[3-[[2-(2,4-dimethylquinolin-3-yl)acetyl]amino]phenyl]-2,2-dimethylpropanamide?
N-[3-[[2-(2,4-dimethylquinolin-3-yl)acetyl]amino]phenyl]-2,2-dimethylpropanamide has a molecular weight of 389.50 g/mol, XLogP of 5.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(2,4-dimethylquinolin-3-yl)acetyl]amino]phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 55532542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).