N-(3-imidazol-1-ylpropyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide

C22H25N5O4 — CID 4081379

IUPACN-(3-imidazol-1-ylpropyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide
SMILESO=C(NCCCn1ccnc1)C(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12
InChIInChI=1S/C22H25N5O4/c28-20(26-10-12-31-13-11-26)15-27-14-18(17-4-1-2-5-19(17)27)21(29)22(30)24-6-3-8-25-9-7-23-16-25/h1-2,4-5,7,9,14,16H,3,6,8,10-13,15H2,(H,24,30)
InChIKeyGFSVWLGJOMZDIJ-UHFFFAOYSA-N
MW423.47 g/mol
LogP1.09
Rot. Bonds8

About N-(3-imidazol-1-ylpropyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide

N-(3-imidazol-1-ylpropyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide (PubChem CID 4081379) has the molecular formula C22H25N5O4 and a molecular weight of 423.47 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide
PubChem CID4081379
Molecular FormulaC22H25N5O4
Molecular Weight423.47 g/mol
Exact Mass423.19
IUPAC NameN-(3-imidazol-1-ylpropyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide
SMILESO=C(NCCCn1ccnc1)C(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12
InChIInChI=1S/C22H25N5O4/c28-20(26-10-12-31-13-11-26)15-27-14-18(17-4-1-2-5-19(17)27)21(29)22(30)24-6-3-8-25-9-7-23-16-25/h1-2,4-5,7,9,14,16H,3,6,8,10-13,15H2,(H,24,30)
InChIKeyGFSVWLGJOMZDIJ-UHFFFAOYSA-N
XLogP1.09
TPSA98.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide (CID 4081379) is N-(3-imidazol-1-ylpropyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide is O=C(NCCCn1ccnc1)C(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide?
The InChIKey is GFSVWLGJOMZDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O4/c28-20(26-10-12-31-13-11-26)15-27-14-18(17-4-1-2-5-19(17)27)21(29)22(30)24-6-3-8-25-9-7-23-16-25/h1-2,4-5,7,9,14,16H,3,6,8,10-13,15H2,(H,24,30).
What are the key properties of N-(3-imidazol-1-ylpropyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide?
N-(3-imidazol-1-ylpropyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide has a molecular weight of 423.47 g/mol, XLogP of 1.09, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide is sourced from PubChem (CID 4081379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).