3-[[2-(2,3-dihydroindol-1-yl)-2-phenylacetyl]amino]propanamide

C19H21N3O2 — CID 122143195

IUPAC3-[[2-(2,3-dihydroindol-1-yl)-2-phenylacetyl]amino]propanamide
SMILESNC(=O)CCNC(=O)C(c1ccccc1)N1CCc2ccccc21
InChIInChI=1S/C19H21N3O2/c20-17(23)10-12-21-19(24)18(15-7-2-1-3-8-15)22-13-11-14-6-4-5-9-16(14)22/h1-9,18H,10-13H2,(H2,20,23)(H,21,24)
InChIKeyLLUFGXSZNNNXPC-UHFFFAOYSA-N
MW323.40 g/mol
LogP1.78
Rot. Bonds6

About 3-[[2-(2,3-dihydroindol-1-yl)-2-phenylacetyl]amino]propanamide

3-[[2-(2,3-dihydroindol-1-yl)-2-phenylacetyl]amino]propanamide (PubChem CID 122143195) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 3-[[2-(2,3-dihydroindol-1-yl)-2-phenylacetyl]amino]propanamide.

Molecular Properties

Compound Name3-[[2-(2,3-dihydroindol-1-yl)-2-phenylacetyl]amino]propanamide
PubChem CID122143195
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name3-[[2-(2,3-dihydroindol-1-yl)-2-phenylacetyl]amino]propanamide
SMILESNC(=O)CCNC(=O)C(c1ccccc1)N1CCc2ccccc21
InChIInChI=1S/C19H21N3O2/c20-17(23)10-12-21-19(24)18(15-7-2-1-3-8-15)22-13-11-14-6-4-5-9-16(14)22/h1-9,18H,10-13H2,(H2,20,23)(H,21,24)
InChIKeyLLUFGXSZNNNXPC-UHFFFAOYSA-N
XLogP1.78
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[(2R)-2-(2,3-dihydroindol-1-yl)-2-phenylacetyl]amino]propanamide
CID 124616245
(2S)-2-[[(2S)-2-(2,3-dihydroindol-1-yl)-2-phenylacetyl]amino]propanamide
CID 124616246
2-(2,3-dihydroindol-1-yl)-1,2-diphenylethanone
CID 139234692
(2S)-2-(2,3-dihydroindol-1-yl)-2-(4-fluorophenyl)acetamide
CID 51641515
4-(2,3-dihydroindol-1-yl)-4-phenylbutan-2-one
CID 82133752
3-amino-N-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]-2-methyl-3-phenylpropanamide
CID 119784082
(2S)-2-(2,3-dihydroindol-1-yl)-N-[(3S)-2-oxopiperidin-3-yl]-2-phenylacetamide
CID 95326856
3-amino-N-[2-(2,3-dihydroindol-1-yl)propyl]-3-phenylpropanamide;dihydrochloride
CID 119953257
2-(2,3-dihydroindol-1-yl)pentan-3-one
CID 64868632
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2,3-dihydroindol-1-yl)-2-phenylethanone
CID 120818052
methyl (4R)-4-(2,3-dihydroindol-1-yl)-2-nitro-4-phenylbutanoate
CID 25001016
2-(2,3-dihydroindol-1-yl)-3-methylbutanamide
CID 82040813

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2,3-dihydroindol-1-yl)-2-phenylacetyl]amino]propanamide?
The IUPAC name of 3-[[2-(2,3-dihydroindol-1-yl)-2-phenylacetyl]amino]propanamide (CID 122143195) is 3-[[2-(2,3-dihydroindol-1-yl)-2-phenylacetyl]amino]propanamide.
What is the SMILES notation for 3-[[2-(2,3-dihydroindol-1-yl)-2-phenylacetyl]amino]propanamide?
The canonical SMILES for 3-[[2-(2,3-dihydroindol-1-yl)-2-phenylacetyl]amino]propanamide is NC(=O)CCNC(=O)C(c1ccccc1)N1CCc2ccccc21.
What is the InChIKey of 3-[[2-(2,3-dihydroindol-1-yl)-2-phenylacetyl]amino]propanamide?
The InChIKey is LLUFGXSZNNNXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c20-17(23)10-12-21-19(24)18(15-7-2-1-3-8-15)22-13-11-14-6-4-5-9-16(14)22/h1-9,18H,10-13H2,(H2,20,23)(H,21,24).
What are the key properties of 3-[[2-(2,3-dihydroindol-1-yl)-2-phenylacetyl]amino]propanamide?
3-[[2-(2,3-dihydroindol-1-yl)-2-phenylacetyl]amino]propanamide has a molecular weight of 323.40 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2,3-dihydroindol-1-yl)-2-phenylacetyl]amino]propanamide is sourced from PubChem (CID 122143195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).