N-[2,6-di(propan-2-yl)phenyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide

C23H27N3O2 — CID 19164657

IUPACN-[2,6-di(propan-2-yl)phenyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)CCc1nc2ccccc2[nH]c1=O
InChIInChI=1S/C23H27N3O2/c1-14(2)16-8-7-9-17(15(3)4)22(16)26-21(27)13-12-20-23(28)25-19-11-6-5-10-18(19)24-20/h5-11,14-15H,12-13H2,1-4H3,(H,25,28)(H,26,27)
InChIKeyCIERNMYTYPPFQT-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.74
Rot. Bonds6

About N-[2,6-di(propan-2-yl)phenyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide

N-[2,6-di(propan-2-yl)phenyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide (PubChem CID 19164657) 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]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
PubChem CID19164657
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)CCc1nc2ccccc2[nH]c1=O
InChIInChI=1S/C23H27N3O2/c1-14(2)16-8-7-9-17(15(3)4)22(16)26-21(27)13-12-20-23(28)25-19-11-6-5-10-18(19)24-20/h5-11,14-15H,12-13H2,1-4H3,(H,25,28)(H,26,27)
InChIKeyCIERNMYTYPPFQT-UHFFFAOYSA-N
XLogP4.74
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-oxo-4H-quinoxalin-2-yl)-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide
CID 19164914
N-(2-ethylphenyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 19164668
N-(4-methyl-2-pyridinyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 19164738
N-(4-ethoxyphenyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 19164677
N-(cyanomethyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 82299514
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[2,6-di(propan-2-yl)phenyl]propanamide
CID 135888063
N-[(1-methylpyrrol-3-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 110794130
N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 108733038
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 19164773
N-(1-methyl-2,3-dihydroindol-6-yl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 110744697
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 19164774
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 110742757

Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide (CID 19164657) is N-[2,6-di(propan-2-yl)phenyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide is CC(C)c1cccc(C(C)C)c1NC(=O)CCc1nc2ccccc2[nH]c1=O.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide?
The InChIKey is CIERNMYTYPPFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-14(2)16-8-7-9-17(15(3)4)22(16)26-21(27)13-12-20-23(28)25-19-11-6-5-10-18(19)24-20/h5-11,14-15H,12-13H2,1-4H3,(H,25,28)(H,26,27).
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide?
N-[2,6-di(propan-2-yl)phenyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide has a molecular weight of 377.49 g/mol, XLogP of 4.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide is sourced from PubChem (CID 19164657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).