3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]-N-ethyl-N-phenylbenzamide

C25H25N3O2 — CID 54810846

IUPAC3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]-N-ethyl-N-phenylbenzamide
SMILESCCN(C(=O)c1cccc(NC(=O)CN2CCc3ccccc32)c1)c1ccccc1
InChIInChI=1S/C25H25N3O2/c1-2-28(22-12-4-3-5-13-22)25(30)20-10-8-11-21(17-20)26-24(29)18-27-16-15-19-9-6-7-14-23(19)27/h3-14,17H,2,15-16,18H2,1H3,(H,26,29)
InChIKeyYRCVOMGBTWMLED-UHFFFAOYSA-N
MW399.49 g/mol
LogP4.35
Rot. Bonds6

About 3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]-N-ethyl-N-phenylbenzamide

3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]-N-ethyl-N-phenylbenzamide (PubChem CID 54810846) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is 3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]-N-ethyl-N-phenylbenzamide.

Molecular Properties

Compound Name3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]-N-ethyl-N-phenylbenzamide
PubChem CID54810846
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC Name3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]-N-ethyl-N-phenylbenzamide
SMILESCCN(C(=O)c1cccc(NC(=O)CN2CCc3ccccc32)c1)c1ccccc1
InChIInChI=1S/C25H25N3O2/c1-2-28(22-12-4-3-5-13-22)25(30)20-10-8-11-21(17-20)26-24(29)18-27-16-15-19-9-6-7-14-23(19)27/h3-14,17H,2,15-16,18H2,1H3,(H,26,29)
InChIKeyYRCVOMGBTWMLED-UHFFFAOYSA-N
XLogP4.35
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]benzamide
CID 54810849
2-(2,3-dihydroindol-1-yl)-N-phenylacetamide
CID 22199878
3-acetamido-N-ethyl-N-phenylbenzamide
CID 17221925
N-[3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]-2-methylpropanamide
CID 54810898
N-[3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]-3-phenylpropanamide
CID 54810873
2-(2,3-dihydroindol-1-yl)-N-(3,5-dimethylphenyl)acetamide
CID 22199883
N-ethyl-3-[[2-(4-methylanilino)acetyl]amino]-N-phenylbenzamide
CID 54814231
N-ethyl-N-phenyl-3-[[2-[3-(propanoylamino)anilino]acetyl]amino]benzamide
CID 54833237
3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54810727
2-(2,3-dihydroindol-1-yl)-N-[3-(2-methoxyethoxy)phenyl]acetamide
CID 54810775
2-(2,3-dihydroindol-1-yl)-N-(4-methylphenyl)acetamide
CID 2402749
N-[4-(diethylsulfamoyl)phenyl]-2-(2,3-dihydroindol-1-yl)acetamide
CID 2654347

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]-N-ethyl-N-phenylbenzamide?
The IUPAC name of 3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]-N-ethyl-N-phenylbenzamide (CID 54810846) is 3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]-N-ethyl-N-phenylbenzamide.
What is the SMILES notation for 3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]-N-ethyl-N-phenylbenzamide?
The canonical SMILES for 3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]-N-ethyl-N-phenylbenzamide is CCN(C(=O)c1cccc(NC(=O)CN2CCc3ccccc32)c1)c1ccccc1.
What is the InChIKey of 3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]-N-ethyl-N-phenylbenzamide?
The InChIKey is YRCVOMGBTWMLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2/c1-2-28(22-12-4-3-5-13-22)25(30)20-10-8-11-21(17-20)26-24(29)18-27-16-15-19-9-6-7-14-23(19)27/h3-14,17H,2,15-16,18H2,1H3,(H,26,29).
What are the key properties of 3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]-N-ethyl-N-phenylbenzamide?
3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]-N-ethyl-N-phenylbenzamide has a molecular weight of 399.49 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]-N-ethyl-N-phenylbenzamide is sourced from PubChem (CID 54810846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).