3-[4-[2-(2-ethylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-(2-methylpropyl)propanamide

C25H30N4O3 — CID 53129384

IUPAC3-[4-[2-(2-ethylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-(2-methylpropyl)propanamide
SMILESCCc1ccccc1NC(=O)Cn1c(=O)c(CCC(=O)NCC(C)C)nc2ccccc21
InChIInChI=1S/C25H30N4O3/c1-4-18-9-5-6-10-19(18)28-24(31)16-29-22-12-8-7-11-20(22)27-21(25(29)32)13-14-23(30)26-15-17(2)3/h5-12,17H,4,13-16H2,1-3H3,(H,26,30)(H,28,31)
InChIKeyYTHVLVDWTZGONM-UHFFFAOYSA-N
MW434.54 g/mol
LogP3.30
Rot. Bonds9

About 3-[4-[2-(2-ethylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-(2-methylpropyl)propanamide

3-[4-[2-(2-ethylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-(2-methylpropyl)propanamide (PubChem CID 53129384) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is 3-[4-[2-(2-ethylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name3-[4-[2-(2-ethylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-(2-methylpropyl)propanamide
PubChem CID53129384
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC Name3-[4-[2-(2-ethylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-(2-methylpropyl)propanamide
SMILESCCc1ccccc1NC(=O)Cn1c(=O)c(CCC(=O)NCC(C)C)nc2ccccc21
InChIInChI=1S/C25H30N4O3/c1-4-18-9-5-6-10-19(18)28-24(31)16-29-22-12-8-7-11-20(22)27-21(25(29)32)13-14-23(30)26-15-17(2)3/h5-12,17H,4,13-16H2,1-3H3,(H,26,30)(H,28,31)
InChIKeyYTHVLVDWTZGONM-UHFFFAOYSA-N
XLogP3.30
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-(2-methylpropyl)propanamide
CID 53129394
3-[4-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-(2-methylpropyl)propanamide
CID 53129392
3-[4-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-(2-methylpropyl)propanamide
CID 53129425
3-[4-[2-(N-methylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-(2-methylpropyl)propanamide
CID 53129397
3-[4-[2-(3-methoxyanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-(2-methylpropyl)propanamide
CID 53129376
3-[4-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-(2-methylpropyl)propanamide
CID 53129400
N-[[1-[2-(2-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]butanamide
CID 17028969
2-(2-ethylbenzimidazol-1-yl)-N-(2-ethylphenyl)acetamide
CID 4789521
N-cyclopropyl-3-[4-[2-(2-ethoxyanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]propanamide
CID 46391445
3-[4-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-ethylpropanamide
CID 53129204
3-[4-[2-[(2-bromophenyl)methylamino]-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-methylpropanamide
CID 53129366
3-[4-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-(2-methylpropyl)propanamide
CID 53129414

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(2-ethylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-(2-methylpropyl)propanamide?
The IUPAC name of 3-[4-[2-(2-ethylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-(2-methylpropyl)propanamide (CID 53129384) is 3-[4-[2-(2-ethylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 3-[4-[2-(2-ethylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-(2-methylpropyl)propanamide?
The canonical SMILES for 3-[4-[2-(2-ethylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-(2-methylpropyl)propanamide is CCc1ccccc1NC(=O)Cn1c(=O)c(CCC(=O)NCC(C)C)nc2ccccc21.
What is the InChIKey of 3-[4-[2-(2-ethylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-(2-methylpropyl)propanamide?
The InChIKey is YTHVLVDWTZGONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-4-18-9-5-6-10-19(18)28-24(31)16-29-22-12-8-7-11-20(22)27-21(25(29)32)13-14-23(30)26-15-17(2)3/h5-12,17H,4,13-16H2,1-3H3,(H,26,30)(H,28,31).
What are the key properties of 3-[4-[2-(2-ethylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-(2-methylpropyl)propanamide?
3-[4-[2-(2-ethylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-(2-methylpropyl)propanamide has a molecular weight of 434.54 g/mol, XLogP of 3.30, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(2-ethylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 53129384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).