N-butyl-4-(2,3-dihydroindol-1-yl)-3-imidazol-1-yl-4-oxobutanamide

C19H24N4O2 — CID 4319544

IUPACN-butyl-4-(2,3-dihydroindol-1-yl)-3-imidazol-1-yl-4-oxobutanamide
SMILESCCCCNC(=O)CC(C(=O)N1CCc2ccccc21)n1ccnc1
InChIInChI=1S/C19H24N4O2/c1-2-3-9-21-18(24)13-17(22-12-10-20-14-22)19(25)23-11-8-15-6-4-5-7-16(15)23/h4-7,10,12,14,17H,2-3,8-9,11,13H2,1H3,(H,21,24)
InChIKeyUWJPCHPJYSIADD-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.32
Rot. Bonds7

About N-butyl-4-(2,3-dihydroindol-1-yl)-3-imidazol-1-yl-4-oxobutanamide

N-butyl-4-(2,3-dihydroindol-1-yl)-3-imidazol-1-yl-4-oxobutanamide (PubChem CID 4319544) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-butyl-4-(2,3-dihydroindol-1-yl)-3-imidazol-1-yl-4-oxobutanamide.

Molecular Properties

Compound NameN-butyl-4-(2,3-dihydroindol-1-yl)-3-imidazol-1-yl-4-oxobutanamide
PubChem CID4319544
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-butyl-4-(2,3-dihydroindol-1-yl)-3-imidazol-1-yl-4-oxobutanamide
SMILESCCCCNC(=O)CC(C(=O)N1CCc2ccccc21)n1ccnc1
InChIInChI=1S/C19H24N4O2/c1-2-3-9-21-18(24)13-17(22-12-10-20-14-22)19(25)23-11-8-15-6-4-5-7-16(15)23/h4-7,10,12,14,17H,2-3,8-9,11,13H2,1H3,(H,21,24)
InChIKeyUWJPCHPJYSIADD-UHFFFAOYSA-N
XLogP2.32
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-butyl-4-(2,3-dihydroindol-1-yl)-3-imidazol-1-yl-4-oxobutanamide?
The IUPAC name of N-butyl-4-(2,3-dihydroindol-1-yl)-3-imidazol-1-yl-4-oxobutanamide (CID 4319544) is N-butyl-4-(2,3-dihydroindol-1-yl)-3-imidazol-1-yl-4-oxobutanamide.
What is the SMILES notation for N-butyl-4-(2,3-dihydroindol-1-yl)-3-imidazol-1-yl-4-oxobutanamide?
The canonical SMILES for N-butyl-4-(2,3-dihydroindol-1-yl)-3-imidazol-1-yl-4-oxobutanamide is CCCCNC(=O)CC(C(=O)N1CCc2ccccc21)n1ccnc1.
What is the InChIKey of N-butyl-4-(2,3-dihydroindol-1-yl)-3-imidazol-1-yl-4-oxobutanamide?
The InChIKey is UWJPCHPJYSIADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-2-3-9-21-18(24)13-17(22-12-10-20-14-22)19(25)23-11-8-15-6-4-5-7-16(15)23/h4-7,10,12,14,17H,2-3,8-9,11,13H2,1H3,(H,21,24).
What are the key properties of N-butyl-4-(2,3-dihydroindol-1-yl)-3-imidazol-1-yl-4-oxobutanamide?
N-butyl-4-(2,3-dihydroindol-1-yl)-3-imidazol-1-yl-4-oxobutanamide has a molecular weight of 340.43 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-(2,3-dihydroindol-1-yl)-3-imidazol-1-yl-4-oxobutanamide is sourced from PubChem (CID 4319544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).