N-[4-(diethylamino)phenyl]-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]benzamide

C27H29N3O3 — CID 992735

IUPACN-[4-(diethylamino)phenyl]-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]benzamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccccc2OCC(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C27H29N3O3/c1-3-29(4-2)22-15-13-21(14-16-22)28-27(32)23-10-6-8-12-25(23)33-19-26(31)30-18-17-20-9-5-7-11-24(20)30/h5-16H,3-4,17-19H2,1-2H3,(H,28,32)
InChIKeyGSEHLZQOBINPDT-UHFFFAOYSA-N
MW443.55 g/mol
LogP4.75
Rot. Bonds8

About N-[4-(diethylamino)phenyl]-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]benzamide

N-[4-(diethylamino)phenyl]-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]benzamide (PubChem CID 992735) has the molecular formula C27H29N3O3 and a molecular weight of 443.55 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]benzamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]benzamide
PubChem CID992735
Molecular FormulaC27H29N3O3
Molecular Weight443.55 g/mol
Exact Mass443.22
IUPAC NameN-[4-(diethylamino)phenyl]-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]benzamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccccc2OCC(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C27H29N3O3/c1-3-29(4-2)22-15-13-21(14-16-22)28-27(32)23-10-6-8-12-25(23)33-19-26(31)30-18-17-20-9-5-7-11-24(20)30/h5-16H,3-4,17-19H2,1-2H3,(H,28,32)
InChIKeyGSEHLZQOBINPDT-UHFFFAOYSA-N
XLogP4.75
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-[4-(diethylamino)phenyl]-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]benzamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]benzamide (CID 992735) is N-[4-(diethylamino)phenyl]-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]benzamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]benzamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]benzamide is CCN(CC)c1ccc(NC(=O)c2ccccc2OCC(=O)N2CCc3ccccc32)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]benzamide?
The InChIKey is GSEHLZQOBINPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O3/c1-3-29(4-2)22-15-13-21(14-16-22)28-27(32)23-10-6-8-12-25(23)33-19-26(31)30-18-17-20-9-5-7-11-24(20)30/h5-16H,3-4,17-19H2,1-2H3,(H,28,32).
What are the key properties of N-[4-(diethylamino)phenyl]-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]benzamide?
N-[4-(diethylamino)phenyl]-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]benzamide has a molecular weight of 443.55 g/mol, XLogP of 4.75, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]benzamide is sourced from PubChem (CID 992735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).