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

C19H21N3O2 — CID 124616246

IUPAC(2S)-2-[[(2S)-2-(2,3-dihydroindol-1-yl)-2-phenylacetyl]amino]propanamide
SMILESC[C@H](NC(=O)[C@H](c1ccccc1)N1CCc2ccccc21)C(N)=O
InChIInChI=1S/C19H21N3O2/c1-13(18(20)23)21-19(24)17(15-8-3-2-4-9-15)22-12-11-14-7-5-6-10-16(14)22/h2-10,13,17H,11-12H2,1H3,(H2,20,23)(H,21,24)/t13-,17-/m0/s1
InChIKeySOBIPURUOHPRFP-GUYCJALGSA-N
MW323.40 g/mol
LogP1.78
Rot. Bonds5

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

(2S)-2-[[(2S)-2-(2,3-dihydroindol-1-yl)-2-phenylacetyl]amino]propanamide (PubChem CID 124616246) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is (2S)-2-[[(2S)-2-(2,3-dihydroindol-1-yl)-2-phenylacetyl]amino]propanamide.

Molecular Properties

Compound Name(2S)-2-[[(2S)-2-(2,3-dihydroindol-1-yl)-2-phenylacetyl]amino]propanamide
PubChem CID124616246
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name(2S)-2-[[(2S)-2-(2,3-dihydroindol-1-yl)-2-phenylacetyl]amino]propanamide
SMILESC[C@H](NC(=O)[C@H](c1ccccc1)N1CCc2ccccc21)C(N)=O
InChIInChI=1S/C19H21N3O2/c1-13(18(20)23)21-19(24)17(15-8-3-2-4-9-15)22-12-11-14-7-5-6-10-16(14)22/h2-10,13,17H,11-12H2,1H3,(H2,20,23)(H,21,24)/t13-,17-/m0/s1
InChIKeySOBIPURUOHPRFP-GUYCJALGSA-N
XLogP1.78
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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
3-[[2-(2,3-dihydroindol-1-yl)-2-phenylacetyl]amino]propanamide
CID 122143195
(2S)-2-(2,3-dihydroindol-1-yl)-2-(4-fluorophenyl)acetamide
CID 51641515
2-(2,3-dihydroindol-1-yl)-1,2-diphenylethanone
CID 139234692
2-(2,3-dihydroindol-1-yl)-3-methylbutanamide
CID 82040813
(2S)-2-(2,3-dihydroindol-1-yl)-N-[(3S)-2-oxopiperidin-3-yl]-2-phenylacetamide
CID 95326856
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(1-phenylethyl)propanamide
CID 46800848
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2,3-dihydroindol-1-yl)-2-phenylethanone
CID 120818052
4-(2,3-dihydroindol-1-yl)-4-phenylbutan-2-one
CID 82133752
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2,3-dihydroindol-1-yl)-2-phenylethanone;dihydrochloride
CID 120818051
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 16554558
3-amino-N-[2-(2,3-dihydroindol-1-yl)propyl]-3-phenylpropanamide;dihydrochloride
CID 119953257

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2S)-2-(2,3-dihydroindol-1-yl)-2-phenylacetyl]amino]propanamide?
The IUPAC name of (2S)-2-[[(2S)-2-(2,3-dihydroindol-1-yl)-2-phenylacetyl]amino]propanamide (CID 124616246) is (2S)-2-[[(2S)-2-(2,3-dihydroindol-1-yl)-2-phenylacetyl]amino]propanamide.
What is the SMILES notation for (2S)-2-[[(2S)-2-(2,3-dihydroindol-1-yl)-2-phenylacetyl]amino]propanamide?
The canonical SMILES for (2S)-2-[[(2S)-2-(2,3-dihydroindol-1-yl)-2-phenylacetyl]amino]propanamide is C[C@H](NC(=O)[C@H](c1ccccc1)N1CCc2ccccc21)C(N)=O.
What is the InChIKey of (2S)-2-[[(2S)-2-(2,3-dihydroindol-1-yl)-2-phenylacetyl]amino]propanamide?
The InChIKey is SOBIPURUOHPRFP-GUYCJALGSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-13(18(20)23)21-19(24)17(15-8-3-2-4-9-15)22-12-11-14-7-5-6-10-16(14)22/h2-10,13,17H,11-12H2,1H3,(H2,20,23)(H,21,24)/t13-,17-/m0/s1.
What are the key properties of (2S)-2-[[(2S)-2-(2,3-dihydroindol-1-yl)-2-phenylacetyl]amino]propanamide?
(2S)-2-[[(2S)-2-(2,3-dihydroindol-1-yl)-2-phenylacetyl]amino]propanamide has a molecular weight of 323.40 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2S)-2-(2,3-dihydroindol-1-yl)-2-phenylacetyl]amino]propanamide is sourced from PubChem (CID 124616246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).