N-[2,6-di(propan-2-yl)phenyl]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide

C23H27N3O2 — CID 39967043

IUPACN-[2,6-di(propan-2-yl)phenyl]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide
SMILESCc1nc2ccccc2n(CC(=O)Nc2c(C(C)C)cccc2C(C)C)c1=O
InChIInChI=1S/C23H27N3O2/c1-14(2)17-9-8-10-18(15(3)4)22(17)25-21(27)13-26-20-12-7-6-11-19(20)24-16(5)23(26)28/h6-12,14-15H,13H2,1-5H3,(H,25,27)
InChIKeyRQRPGPIQYQHZRB-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.59
Rot. Bonds5

About N-[2,6-di(propan-2-yl)phenyl]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide

N-[2,6-di(propan-2-yl)phenyl]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide (PubChem CID 39967043) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide
PubChem CID39967043
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide
SMILESCc1nc2ccccc2n(CC(=O)Nc2c(C(C)C)cccc2C(C)C)c1=O
InChIInChI=1S/C23H27N3O2/c1-14(2)17-9-8-10-18(15(3)4)22(17)25-21(27)13-26-20-12-7-6-11-19(20)24-16(5)23(26)28/h6-12,14-15H,13H2,1-5H3,(H,25,27)
InChIKeyRQRPGPIQYQHZRB-UHFFFAOYSA-N
XLogP4.59
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2,6-di(propan-2-yl)phenyl]-2-[2-(1-hydroxyethyl)benzimidazol-1-yl]acetamide
CID 112787844
2-(3-methyl-2-oxoquinoxalin-1-yl)acetohydrazide
CID 14616290
methyl 2-[[2-(3-methyl-2-oxoquinoxalin-1-yl)acetyl]amino]benzoate
CID 46507840
N-[2,6-di(propan-2-yl)phenyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 113195295
2-(3-methyl-2-oxoquinoxalin-1-yl)ethanethioamide
CID 62374548
N-(2,6-dimethylphenyl)-2-[2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]acetamide
CID 46284677
methyl (2R)-2-[[2-(3-methyl-2-oxoquinoxalin-1-yl)acetyl]amino]-3-phenylpropanoate
CID 11222698
1-(5-hydroxyhexyl)-3-methylquinoxalin-2-one
CID 55067815
N-[(4-chlorophenyl)methyl]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide
CID 46295466
3-(3-methyl-2-oxoquinoxalin-1-yl)propanoic acid
CID 62374383
5-(3-methyl-2-oxoquinoxalin-1-yl)pentanehydrazide
CID 63578367
2-(2-oxoquinoxalin-1-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 8023093

Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide (CID 39967043) is N-[2,6-di(propan-2-yl)phenyl]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide is Cc1nc2ccccc2n(CC(=O)Nc2c(C(C)C)cccc2C(C)C)c1=O.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide?
The InChIKey is RQRPGPIQYQHZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-14(2)17-9-8-10-18(15(3)4)22(17)25-21(27)13-26-20-12-7-6-11-19(20)24-16(5)23(26)28/h6-12,14-15H,13H2,1-5H3,(H,25,27).
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide?
N-[2,6-di(propan-2-yl)phenyl]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide has a molecular weight of 377.49 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide is sourced from PubChem (CID 39967043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).