(2S)-1-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]-2,3-dihydroindole-2-carboxamide

C21H23N3O2 — CID 94794210

IUPAC(2S)-1-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]-2,3-dihydroindole-2-carboxamide
SMILESNC(=O)[C@@H]1Cc2ccccc2N1CC(=O)N[C@H]1CCCc2ccccc21
InChIInChI=1S/C21H23N3O2/c22-21(26)19-12-15-7-2-4-11-18(15)24(19)13-20(25)23-17-10-5-8-14-6-1-3-9-16(14)17/h1-4,6-7,9,11,17,19H,5,8,10,12-13H2,(H2,22,26)(H,23,25)/t17-,19-/m0/s1
InChIKeyKLBGIAWDEQIBRB-HKUYNNGSSA-N
MW349.43 g/mol
LogP2.10
Rot. Bonds4

About (2S)-1-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]-2,3-dihydroindole-2-carboxamide

(2S)-1-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]-2,3-dihydroindole-2-carboxamide (PubChem CID 94794210) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is (2S)-1-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]-2,3-dihydroindole-2-carboxamide
PubChem CID94794210
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name(2S)-1-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]-2,3-dihydroindole-2-carboxamide
SMILESNC(=O)[C@@H]1Cc2ccccc2N1CC(=O)N[C@H]1CCCc2ccccc21
InChIInChI=1S/C21H23N3O2/c22-21(26)19-12-15-7-2-4-11-18(15)24(19)13-20(25)23-17-10-5-8-14-6-1-3-9-16(14)17/h1-4,6-7,9,11,17,19H,5,8,10,12-13H2,(H2,22,26)(H,23,25)/t17-,19-/m0/s1
InChIKeyKLBGIAWDEQIBRB-HKUYNNGSSA-N
XLogP2.10
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 7826024
2-(2,5-dioxopyrrolidin-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 7819453
2-imidazol-1-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 17491802
3-(carbamoylamino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 94199738
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 94025031
1-[3-oxo-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propyl]piperidine-4-carboxamide
CID 56810651
3-bromo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 69220088
2-(2-methylpiperidin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 51170933
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 11931274
2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 7688342
3-phenothiazin-10-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 2338826
2-(4-benzylpiperazin-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2409448

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]-2,3-dihydroindole-2-carboxamide?
The IUPAC name of (2S)-1-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]-2,3-dihydroindole-2-carboxamide (CID 94794210) is (2S)-1-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for (2S)-1-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for (2S)-1-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]-2,3-dihydroindole-2-carboxamide is NC(=O)[C@@H]1Cc2ccccc2N1CC(=O)N[C@H]1CCCc2ccccc21.
What is the InChIKey of (2S)-1-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]-2,3-dihydroindole-2-carboxamide?
The InChIKey is KLBGIAWDEQIBRB-HKUYNNGSSA-N. The full InChI is InChI=1S/C21H23N3O2/c22-21(26)19-12-15-7-2-4-11-18(15)24(19)13-20(25)23-17-10-5-8-14-6-1-3-9-16(14)17/h1-4,6-7,9,11,17,19H,5,8,10,12-13H2,(H2,22,26)(H,23,25)/t17-,19-/m0/s1.
What are the key properties of (2S)-1-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]-2,3-dihydroindole-2-carboxamide?
(2S)-1-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]-2,3-dihydroindole-2-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 94794210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).