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

C22H30N4O2 — CID 5052591

IUPAC4-(2,3-dihydroindol-1-yl)-N-heptyl-3-imidazol-1-yl-4-oxobutanamide
SMILESCCCCCCCNC(=O)CC(C(=O)N1CCc2ccccc21)n1ccnc1
InChIInChI=1S/C22H30N4O2/c1-2-3-4-5-8-12-24-21(27)16-20(25-15-13-23-17-25)22(28)26-14-11-18-9-6-7-10-19(18)26/h6-7,9-10,13,15,17,20H,2-5,8,11-12,14,16H2,1H3,(H,24,27)
InChIKeyXASVZJFWVYIUAE-UHFFFAOYSA-N
MW382.51 g/mol
LogP3.49
Rot. Bonds10

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

4-(2,3-dihydroindol-1-yl)-N-heptyl-3-imidazol-1-yl-4-oxobutanamide (PubChem CID 5052591) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 4-(2,3-dihydroindol-1-yl)-N-heptyl-3-imidazol-1-yl-4-oxobutanamide.

Molecular Properties

Compound Name4-(2,3-dihydroindol-1-yl)-N-heptyl-3-imidazol-1-yl-4-oxobutanamide
PubChem CID5052591
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name4-(2,3-dihydroindol-1-yl)-N-heptyl-3-imidazol-1-yl-4-oxobutanamide
SMILESCCCCCCCNC(=O)CC(C(=O)N1CCc2ccccc21)n1ccnc1
InChIInChI=1S/C22H30N4O2/c1-2-3-4-5-8-12-24-21(27)16-20(25-15-13-23-17-25)22(28)26-14-11-18-9-6-7-10-19(18)26/h6-7,9-10,13,15,17,20H,2-5,8,11-12,14,16H2,1H3,(H,24,27)
InChIKeyXASVZJFWVYIUAE-UHFFFAOYSA-N
XLogP3.49
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 53.49
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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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydroindol-1-yl)-N-heptyl-3-imidazol-1-yl-4-oxobutanamide?
The IUPAC name of 4-(2,3-dihydroindol-1-yl)-N-heptyl-3-imidazol-1-yl-4-oxobutanamide (CID 5052591) is 4-(2,3-dihydroindol-1-yl)-N-heptyl-3-imidazol-1-yl-4-oxobutanamide.
What is the SMILES notation for 4-(2,3-dihydroindol-1-yl)-N-heptyl-3-imidazol-1-yl-4-oxobutanamide?
The canonical SMILES for 4-(2,3-dihydroindol-1-yl)-N-heptyl-3-imidazol-1-yl-4-oxobutanamide is CCCCCCCNC(=O)CC(C(=O)N1CCc2ccccc21)n1ccnc1.
What is the InChIKey of 4-(2,3-dihydroindol-1-yl)-N-heptyl-3-imidazol-1-yl-4-oxobutanamide?
The InChIKey is XASVZJFWVYIUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-2-3-4-5-8-12-24-21(27)16-20(25-15-13-23-17-25)22(28)26-14-11-18-9-6-7-10-19(18)26/h6-7,9-10,13,15,17,20H,2-5,8,11-12,14,16H2,1H3,(H,24,27).
What are the key properties of 4-(2,3-dihydroindol-1-yl)-N-heptyl-3-imidazol-1-yl-4-oxobutanamide?
4-(2,3-dihydroindol-1-yl)-N-heptyl-3-imidazol-1-yl-4-oxobutanamide has a molecular weight of 382.51 g/mol, XLogP of 3.49, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydroindol-1-yl)-N-heptyl-3-imidazol-1-yl-4-oxobutanamide is sourced from PubChem (CID 5052591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).