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

C19H24N4O2 — CID 4083767

IUPACN-butan-2-yl-4-(2,3-dihydroindol-1-yl)-3-imidazol-1-yl-4-oxobutanamide
SMILESCCC(C)NC(=O)CC(C(=O)N1CCc2ccccc21)n1ccnc1
InChIInChI=1S/C19H24N4O2/c1-3-14(2)21-18(24)12-17(22-11-9-20-13-22)19(25)23-10-8-15-6-4-5-7-16(15)23/h4-7,9,11,13-14,17H,3,8,10,12H2,1-2H3,(H,21,24)
InChIKeyFSGPZLAPYFWQET-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.32
Rot. Bonds6

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

N-butan-2-yl-4-(2,3-dihydroindol-1-yl)-3-imidazol-1-yl-4-oxobutanamide (PubChem CID 4083767) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-butan-2-yl-4-(2,3-dihydroindol-1-yl)-3-imidazol-1-yl-4-oxobutanamide.

Molecular Properties

Compound NameN-butan-2-yl-4-(2,3-dihydroindol-1-yl)-3-imidazol-1-yl-4-oxobutanamide
PubChem CID4083767
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-butan-2-yl-4-(2,3-dihydroindol-1-yl)-3-imidazol-1-yl-4-oxobutanamide
SMILESCCC(C)NC(=O)CC(C(=O)N1CCc2ccccc21)n1ccnc1
InChIInChI=1S/C19H24N4O2/c1-3-14(2)21-18(24)12-17(22-11-9-20-13-22)19(25)23-10-8-15-6-4-5-7-16(15)23/h4-7,9,11,13-14,17H,3,8,10,12H2,1-2H3,(H,21,24)
InChIKeyFSGPZLAPYFWQET-UHFFFAOYSA-N
XLogP2.32
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-(2,3-dihydroindol-1-yl)-3-imidazol-1-yl-4-oxobutanamide?
The IUPAC name of N-butan-2-yl-4-(2,3-dihydroindol-1-yl)-3-imidazol-1-yl-4-oxobutanamide (CID 4083767) is N-butan-2-yl-4-(2,3-dihydroindol-1-yl)-3-imidazol-1-yl-4-oxobutanamide.
What is the SMILES notation for N-butan-2-yl-4-(2,3-dihydroindol-1-yl)-3-imidazol-1-yl-4-oxobutanamide?
The canonical SMILES for N-butan-2-yl-4-(2,3-dihydroindol-1-yl)-3-imidazol-1-yl-4-oxobutanamide is CCC(C)NC(=O)CC(C(=O)N1CCc2ccccc21)n1ccnc1.
What is the InChIKey of N-butan-2-yl-4-(2,3-dihydroindol-1-yl)-3-imidazol-1-yl-4-oxobutanamide?
The InChIKey is FSGPZLAPYFWQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-3-14(2)21-18(24)12-17(22-11-9-20-13-22)19(25)23-10-8-15-6-4-5-7-16(15)23/h4-7,9,11,13-14,17H,3,8,10,12H2,1-2H3,(H,21,24).
What are the key properties of N-butan-2-yl-4-(2,3-dihydroindol-1-yl)-3-imidazol-1-yl-4-oxobutanamide?
N-butan-2-yl-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, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-(2,3-dihydroindol-1-yl)-3-imidazol-1-yl-4-oxobutanamide is sourced from PubChem (CID 4083767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).