N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[4-(4-methoxyphenyl)-3-oxoquinoxalin-2-yl]propanamide

C30H34N4O3 — CID 42907186

IUPACN-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[4-(4-methoxyphenyl)-3-oxoquinoxalin-2-yl]propanamide
SMILESCCc1ccc(C(CNC(=O)CCc2nc3ccccc3n(-c3ccc(OC)cc3)c2=O)N(C)C)cc1
InChIInChI=1S/C30H34N4O3/c1-5-21-10-12-22(13-11-21)28(33(2)3)20-31-29(35)19-18-26-30(36)34(23-14-16-24(37-4)17-15-23)27-9-7-6-8-25(27)32-26/h6-17,28H,5,18-20H2,1-4H3,(H,31,35)
InChIKeyZKTQJFQJBFYSPP-UHFFFAOYSA-N
MW498.63 g/mol
LogP4.31
Rot. Bonds10

About N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[4-(4-methoxyphenyl)-3-oxoquinoxalin-2-yl]propanamide

N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[4-(4-methoxyphenyl)-3-oxoquinoxalin-2-yl]propanamide (PubChem CID 42907186) has the molecular formula C30H34N4O3 and a molecular weight of 498.63 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[4-(4-methoxyphenyl)-3-oxoquinoxalin-2-yl]propanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[4-(4-methoxyphenyl)-3-oxoquinoxalin-2-yl]propanamide
PubChem CID42907186
Molecular FormulaC30H34N4O3
Molecular Weight498.63 g/mol
Exact Mass498.26
IUPAC NameN-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[4-(4-methoxyphenyl)-3-oxoquinoxalin-2-yl]propanamide
SMILESCCc1ccc(C(CNC(=O)CCc2nc3ccccc3n(-c3ccc(OC)cc3)c2=O)N(C)C)cc1
InChIInChI=1S/C30H34N4O3/c1-5-21-10-12-22(13-11-21)28(33(2)3)20-31-29(35)19-18-26-30(36)34(23-14-16-24(37-4)17-15-23)27-9-7-6-8-25(27)32-26/h6-17,28H,5,18-20H2,1-4H3,(H,31,35)
InChIKeyZKTQJFQJBFYSPP-UHFFFAOYSA-N
XLogP4.31
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.63
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[4-(4-methoxyphenyl)-3-oxoquinoxalin-2-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-methoxyphenyl)-3-[4-(4-methoxyphenyl)-3-oxoquinoxalin-2-yl]propanamide
CID 17447565
benzyl 3-[4-(4-methoxyphenyl)-3-oxoquinoxalin-2-yl]propanoate
CID 7203672
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(2-hydroxyphenyl)propanamide
CID 134057068
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[(4-methoxyphenyl)carbamoylamino]propanamide
CID 43072622
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-(4-ethylphenyl)propanamide
CID 43044979
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(3-methoxyphenyl)propanamide
CID 43035256
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 43072645
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 90490734
N-[2-(dimethylamino)-2-phenylethyl]-2-(4-methoxyphenyl)acetamide
CID 45001416
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 43017141
methyl 1-(4-ethylphenyl)benzimidazole-2-carboxylate
CID 175536518
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-(4-fluorophenyl)pentanamide
CID 110302068

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[4-(4-methoxyphenyl)-3-oxoquinoxalin-2-yl]propanamide?
The IUPAC name of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[4-(4-methoxyphenyl)-3-oxoquinoxalin-2-yl]propanamide (CID 42907186) is N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[4-(4-methoxyphenyl)-3-oxoquinoxalin-2-yl]propanamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[4-(4-methoxyphenyl)-3-oxoquinoxalin-2-yl]propanamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[4-(4-methoxyphenyl)-3-oxoquinoxalin-2-yl]propanamide is CCc1ccc(C(CNC(=O)CCc2nc3ccccc3n(-c3ccc(OC)cc3)c2=O)N(C)C)cc1.
What is the InChIKey of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[4-(4-methoxyphenyl)-3-oxoquinoxalin-2-yl]propanamide?
The InChIKey is ZKTQJFQJBFYSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4O3/c1-5-21-10-12-22(13-11-21)28(33(2)3)20-31-29(35)19-18-26-30(36)34(23-14-16-24(37-4)17-15-23)27-9-7-6-8-25(27)32-26/h6-17,28H,5,18-20H2,1-4H3,(H,31,35).
What are the key properties of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[4-(4-methoxyphenyl)-3-oxoquinoxalin-2-yl]propanamide?
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[4-(4-methoxyphenyl)-3-oxoquinoxalin-2-yl]propanamide has a molecular weight of 498.63 g/mol, XLogP of 4.31, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[4-(4-methoxyphenyl)-3-oxoquinoxalin-2-yl]propanamide is sourced from PubChem (CID 42907186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).