4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)-N-[1-(4-propan-2-yloxyphenyl)ethyl]butanamide

C23H27N3O4 — CID 55579713

IUPAC4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)-N-[1-(4-propan-2-yloxyphenyl)ethyl]butanamide
SMILESCC(C)Oc1ccc(C(C)NC(=O)CCC(=O)N2CC(=O)Nc3ccccc32)cc1
InChIInChI=1S/C23H27N3O4/c1-15(2)30-18-10-8-17(9-11-18)16(3)24-21(27)12-13-23(29)26-14-22(28)25-19-6-4-5-7-20(19)26/h4-11,15-16H,12-14H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyYUROHESPLLHEMP-UHFFFAOYSA-N
MW409.49 g/mol
LogP3.42
Rot. Bonds7

About 4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)-N-[1-(4-propan-2-yloxyphenyl)ethyl]butanamide

4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)-N-[1-(4-propan-2-yloxyphenyl)ethyl]butanamide (PubChem CID 55579713) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is 4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)-N-[1-(4-propan-2-yloxyphenyl)ethyl]butanamide.

Molecular Properties

Compound Name4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)-N-[1-(4-propan-2-yloxyphenyl)ethyl]butanamide
PubChem CID55579713
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC Name4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)-N-[1-(4-propan-2-yloxyphenyl)ethyl]butanamide
SMILESCC(C)Oc1ccc(C(C)NC(=O)CCC(=O)N2CC(=O)Nc3ccccc32)cc1
InChIInChI=1S/C23H27N3O4/c1-15(2)30-18-10-8-17(9-11-18)16(3)24-21(27)12-13-23(29)26-14-22(28)25-19-6-4-5-7-20(19)26/h4-11,15-16H,12-14H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyYUROHESPLLHEMP-UHFFFAOYSA-N
XLogP3.42
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)-N-[1-(4-propan-2-yloxyphenyl)ethyl]butanamide with MolForge

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Related Compounds

N-[1-(2-chlorophenyl)ethyl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide
CID 51175249
2-cyclopropyl-2-[[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoyl]amino]acetic acid
CID 119213630
N-[2-(methylamino)ethyl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide
CID 119502929
4-methoxy-2-[[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoyl]amino]butanoic acid
CID 120702228
4-[3-(4-propan-2-ylphenyl)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 41453973
ethane;4-(3-phenylmethoxypropanoyl)-1,3-dihydroquinoxalin-2-one
CID 163261620
4-oxo-4-phenyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]butanamide
CID 134045511
3-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]propanamide;hydrochloride
CID 119285649
2-hydroxy-N-[3-oxo-3-(3-oxo-2,4-dihydroquinoxalin-1-yl)propyl]acetamide
CID 163261629
4-[4-(4-methoxyphenyl)sulfanylbutanoyl]-1,3-dihydroquinoxalin-2-one
CID 16864002
4-[2-(4-chlorophenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 43818910
1-[4-(1-aminoethyl)piperidin-1-yl]-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butane-1,4-dione
CID 119519616

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)-N-[1-(4-propan-2-yloxyphenyl)ethyl]butanamide?
The IUPAC name of 4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)-N-[1-(4-propan-2-yloxyphenyl)ethyl]butanamide (CID 55579713) is 4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)-N-[1-(4-propan-2-yloxyphenyl)ethyl]butanamide.
What is the SMILES notation for 4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)-N-[1-(4-propan-2-yloxyphenyl)ethyl]butanamide?
The canonical SMILES for 4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)-N-[1-(4-propan-2-yloxyphenyl)ethyl]butanamide is CC(C)Oc1ccc(C(C)NC(=O)CCC(=O)N2CC(=O)Nc3ccccc32)cc1.
What is the InChIKey of 4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)-N-[1-(4-propan-2-yloxyphenyl)ethyl]butanamide?
The InChIKey is YUROHESPLLHEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-15(2)30-18-10-8-17(9-11-18)16(3)24-21(27)12-13-23(29)26-14-22(28)25-19-6-4-5-7-20(19)26/h4-11,15-16H,12-14H2,1-3H3,(H,24,27)(H,25,28).
What are the key properties of 4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)-N-[1-(4-propan-2-yloxyphenyl)ethyl]butanamide?
4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)-N-[1-(4-propan-2-yloxyphenyl)ethyl]butanamide has a molecular weight of 409.49 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)-N-[1-(4-propan-2-yloxyphenyl)ethyl]butanamide is sourced from PubChem (CID 55579713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).