4-(2,3-dihydroindol-1-yl)-4-oxo-N-phenylbutanamide

C18H18N2O2 — CID 658541

IUPAC4-(2,3-dihydroindol-1-yl)-4-oxo-N-phenylbutanamide
SMILESO=C(CCC(=O)N1CCc2ccccc21)Nc1ccccc1
InChIInChI=1S/C18H18N2O2/c21-17(19-15-7-2-1-3-8-15)10-11-18(22)20-13-12-14-6-4-5-9-16(14)20/h1-9H,10-13H2,(H,19,21)
InChIKeyMFRMVYQCSIERFW-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.99
Rot. Bonds4

About 4-(2,3-dihydroindol-1-yl)-4-oxo-N-phenylbutanamide

4-(2,3-dihydroindol-1-yl)-4-oxo-N-phenylbutanamide (PubChem CID 658541) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 4-(2,3-dihydroindol-1-yl)-4-oxo-N-phenylbutanamide.

Molecular Properties

Compound Name4-(2,3-dihydroindol-1-yl)-4-oxo-N-phenylbutanamide
PubChem CID658541
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name4-(2,3-dihydroindol-1-yl)-4-oxo-N-phenylbutanamide
SMILESO=C(CCC(=O)N1CCc2ccccc21)Nc1ccccc1
InChIInChI=1S/C18H18N2O2/c21-17(19-15-7-2-1-3-8-15)10-11-18(22)20-13-12-14-6-4-5-9-16(14)20/h1-9H,10-13H2,(H,19,21)
InChIKeyMFRMVYQCSIERFW-UHFFFAOYSA-N
XLogP2.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydroindol-1-yl)-4-oxo-N-phenylbutanamide?
The IUPAC name of 4-(2,3-dihydroindol-1-yl)-4-oxo-N-phenylbutanamide (CID 658541) is 4-(2,3-dihydroindol-1-yl)-4-oxo-N-phenylbutanamide.
What is the SMILES notation for 4-(2,3-dihydroindol-1-yl)-4-oxo-N-phenylbutanamide?
The canonical SMILES for 4-(2,3-dihydroindol-1-yl)-4-oxo-N-phenylbutanamide is O=C(CCC(=O)N1CCc2ccccc21)Nc1ccccc1.
What is the InChIKey of 4-(2,3-dihydroindol-1-yl)-4-oxo-N-phenylbutanamide?
The InChIKey is MFRMVYQCSIERFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c21-17(19-15-7-2-1-3-8-15)10-11-18(22)20-13-12-14-6-4-5-9-16(14)20/h1-9H,10-13H2,(H,19,21).
What are the key properties of 4-(2,3-dihydroindol-1-yl)-4-oxo-N-phenylbutanamide?
4-(2,3-dihydroindol-1-yl)-4-oxo-N-phenylbutanamide has a molecular weight of 294.35 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydroindol-1-yl)-4-oxo-N-phenylbutanamide is sourced from PubChem (CID 658541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).