ethane;4-[3-(2-hydroxyethylamino)propanoyl]-1,3-dihydroquinoxalin-2-one;propane

C18H31N3O3 — CID 163261655

IUPACethane;4-[3-(2-hydroxyethylamino)propanoyl]-1,3-dihydroquinoxalin-2-one;propane
SMILESCC.CCC.O=C1CN(C(=O)CCNCCO)c2ccccc2N1
InChIInChI=1S/C13H17N3O3.C3H8.C2H6/c17-8-7-14-6-5-13(19)16-9-12(18)15-10-3-1-2-4-11(10)16;1-3-2;1-2/h1-4,14,17H,5-9H2,(H,15,18);3H2,1-2H3;1-2H3
InChIKeyOZFMHZVAXOEBEG-UHFFFAOYSA-N
MW337.46 g/mol
LogP2.39
Rot. Bonds5

About ethane;4-[3-(2-hydroxyethylamino)propanoyl]-1,3-dihydroquinoxalin-2-one;propane

ethane;4-[3-(2-hydroxyethylamino)propanoyl]-1,3-dihydroquinoxalin-2-one;propane (PubChem CID 163261655) has the molecular formula C18H31N3O3 and a molecular weight of 337.46 g/mol. Its IUPAC name is ethane;4-[3-(2-hydroxyethylamino)propanoyl]-1,3-dihydroquinoxalin-2-one;propane.

Molecular Properties

Compound Nameethane;4-[3-(2-hydroxyethylamino)propanoyl]-1,3-dihydroquinoxalin-2-one;propane
PubChem CID163261655
Molecular FormulaC18H31N3O3
Molecular Weight337.46 g/mol
Exact Mass337.24
IUPAC Nameethane;4-[3-(2-hydroxyethylamino)propanoyl]-1,3-dihydroquinoxalin-2-one;propane
SMILESCC.CCC.O=C1CN(C(=O)CCNCCO)c2ccccc2N1
InChIInChI=1S/C13H17N3O3.C3H8.C2H6/c17-8-7-14-6-5-13(19)16-9-12(18)15-10-3-1-2-4-11(10)16;1-3-2;1-2/h1-4,14,17H,5-9H2,(H,15,18);3H2,1-2H3;1-2H3
InChIKeyOZFMHZVAXOEBEG-UHFFFAOYSA-N
XLogP2.39
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-N-[3-oxo-3-(3-oxo-2,4-dihydroquinoxalin-1-yl)propyl]acetamide
CID 163261629
N-[2-(methylamino)ethyl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide
CID 119502929
4-[3-(4-methylphenyl)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 41453577
ethane;4-(3-phenylmethoxypropanoyl)-1,3-dihydroquinoxalin-2-one
CID 163261620
4-(6-aminohexanoyl)-1,3-dihydroquinoxalin-2-one
CID 28822275
2-[3-oxo-3-(3-oxo-2,4-dihydroquinoxalin-1-yl)propyl]sulfanylacetamide
CID 60734018
4-[2-(thian-4-yl)acetyl]-1,3-dihydroquinoxalin-2-one
CID 80708962
4-(2-nitrosoacetyl)-1,3-dihydroquinoxalin-2-one
CID 54465544
N-ethyl-2-[ethyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]amino]acetamide
CID 9433179
4-[3-(4-chlorophenyl)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 51280680
4-(3-cyclohexylpropanoyl)-1,3-dihydroquinoxalin-2-one
CID 26860756
4-[3-(4-propan-2-ylphenyl)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 41453973

Frequently Asked Questions

What is the IUPAC name of ethane;4-[3-(2-hydroxyethylamino)propanoyl]-1,3-dihydroquinoxalin-2-one;propane?
The IUPAC name of ethane;4-[3-(2-hydroxyethylamino)propanoyl]-1,3-dihydroquinoxalin-2-one;propane (CID 163261655) is ethane;4-[3-(2-hydroxyethylamino)propanoyl]-1,3-dihydroquinoxalin-2-one;propane.
What is the SMILES notation for ethane;4-[3-(2-hydroxyethylamino)propanoyl]-1,3-dihydroquinoxalin-2-one;propane?
The canonical SMILES for ethane;4-[3-(2-hydroxyethylamino)propanoyl]-1,3-dihydroquinoxalin-2-one;propane is CC.CCC.O=C1CN(C(=O)CCNCCO)c2ccccc2N1.
What is the InChIKey of ethane;4-[3-(2-hydroxyethylamino)propanoyl]-1,3-dihydroquinoxalin-2-one;propane?
The InChIKey is OZFMHZVAXOEBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3.C3H8.C2H6/c17-8-7-14-6-5-13(19)16-9-12(18)15-10-3-1-2-4-11(10)16;1-3-2;1-2/h1-4,14,17H,5-9H2,(H,15,18);3H2,1-2H3;1-2H3.
What are the key properties of ethane;4-[3-(2-hydroxyethylamino)propanoyl]-1,3-dihydroquinoxalin-2-one;propane?
ethane;4-[3-(2-hydroxyethylamino)propanoyl]-1,3-dihydroquinoxalin-2-one;propane has a molecular weight of 337.46 g/mol, XLogP of 2.39, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[3-(2-hydroxyethylamino)propanoyl]-1,3-dihydroquinoxalin-2-one;propane is sourced from PubChem (CID 163261655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).