3-(4-tert-butylphenyl)-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)propanamide

C21H23N3O3 — CID 17466693

IUPAC3-(4-tert-butylphenyl)-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)propanamide
SMILESCC(C)(C)c1ccc(CCC(=O)Nc2ccc3[nH]c(=O)c(=O)[nH]c3c2)cc1
InChIInChI=1S/C21H23N3O3/c1-21(2,3)14-7-4-13(5-8-14)6-11-18(25)22-15-9-10-16-17(12-15)24-20(27)19(26)23-16/h4-5,7-10,12H,6,11H2,1-3H3,(H,22,25)(H,23,26)(H,24,27)
InChIKeyRVLGKYPHVOPGJJ-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.09
Rot. Bonds4

About 3-(4-tert-butylphenyl)-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)propanamide

3-(4-tert-butylphenyl)-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)propanamide (PubChem CID 17466693) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)propanamide.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)propanamide
PubChem CID17466693
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name3-(4-tert-butylphenyl)-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)propanamide
SMILESCC(C)(C)c1ccc(CCC(=O)Nc2ccc3[nH]c(=O)c(=O)[nH]c3c2)cc1
InChIInChI=1S/C21H23N3O3/c1-21(2,3)14-7-4-13(5-8-14)6-11-18(25)22-15-9-10-16-17(12-15)24-20(27)19(26)23-16/h4-5,7-10,12H,6,11H2,1-3H3,(H,22,25)(H,23,26)(H,24,27)
InChIKeyRVLGKYPHVOPGJJ-UHFFFAOYSA-N
XLogP3.09
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

3-(4-fluorophenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 18160949
3-(4-tert-butylphenyl)-N-(6-oxo-1H-pyridin-3-yl)propanamide
CID 110724921
3-(4-tert-butylphenyl)-N-(3,4-dimethoxyphenyl)propanamide
CID 19221168
3-(4-tert-butylphenyl)-N-(4-chlorophenyl)propanamide
CID 19221191
N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3-oxobutanamide
CID 61249007
N-(3-bromophenyl)-3-(4-tert-butylphenyl)propanamide
CID 19221197
3-(4-tert-butylphenyl)-N-(3-chlorophenyl)propanamide
CID 19221190
4-[3-(4-tert-butylphenyl)propanoylamino]-2-methylbenzamide
CID 56517357
3-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)amino]-3-oxopropanoic acid
CID 62231775
5-bromo-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)pentanamide
CID 107908877
N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-2-methoxyacetamide
CID 60701020
N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)acetamide
CID 60700393

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)propanamide?
The IUPAC name of 3-(4-tert-butylphenyl)-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)propanamide (CID 17466693) is 3-(4-tert-butylphenyl)-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)propanamide.
What is the SMILES notation for 3-(4-tert-butylphenyl)-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)propanamide?
The canonical SMILES for 3-(4-tert-butylphenyl)-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)propanamide is CC(C)(C)c1ccc(CCC(=O)Nc2ccc3[nH]c(=O)c(=O)[nH]c3c2)cc1.
What is the InChIKey of 3-(4-tert-butylphenyl)-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)propanamide?
The InChIKey is RVLGKYPHVOPGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-21(2,3)14-7-4-13(5-8-14)6-11-18(25)22-15-9-10-16-17(12-15)24-20(27)19(26)23-16/h4-5,7-10,12H,6,11H2,1-3H3,(H,22,25)(H,23,26)(H,24,27).
What are the key properties of 3-(4-tert-butylphenyl)-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)propanamide?
3-(4-tert-butylphenyl)-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)propanamide has a molecular weight of 365.43 g/mol, XLogP of 3.09, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)propanamide is sourced from PubChem (CID 17466693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).