(5S)-N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-4,5,6,7-tetrahydro-2H-benzotriazole-5-carboxamide

C18H21N5O2 — CID 124731170

IUPAC(5S)-N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-4,5,6,7-tetrahydro-2H-benzotriazole-5-carboxamide
SMILESC[C@H](NC(=O)[C@H]1CCc2n[nH]nc2C1)C(=O)N1CCc2ccccc21
InChIInChI=1S/C18H21N5O2/c1-11(18(25)23-9-8-12-4-2-3-5-16(12)23)19-17(24)13-6-7-14-15(10-13)21-22-20-14/h2-5,11,13H,6-10H2,1H3,(H,19,24)(H,20,21,22)/t11-,13-/m0/s1
InChIKeyIQGWGRMZKWAELQ-AAEUAGOBSA-N
MW339.40 g/mol
LogP1.00
Rot. Bonds3

About (5S)-N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-4,5,6,7-tetrahydro-2H-benzotriazole-5-carboxamide

(5S)-N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-4,5,6,7-tetrahydro-2H-benzotriazole-5-carboxamide (PubChem CID 124731170) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is (5S)-N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-4,5,6,7-tetrahydro-2H-benzotriazole-5-carboxamide.

Molecular Properties

Compound Name(5S)-N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-4,5,6,7-tetrahydro-2H-benzotriazole-5-carboxamide
PubChem CID124731170
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name(5S)-N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-4,5,6,7-tetrahydro-2H-benzotriazole-5-carboxamide
SMILESC[C@H](NC(=O)[C@H]1CCc2n[nH]nc2C1)C(=O)N1CCc2ccccc21
InChIInChI=1S/C18H21N5O2/c1-11(18(25)23-9-8-12-4-2-3-5-16(12)23)19-17(24)13-6-7-14-15(10-13)21-22-20-14/h2-5,11,13H,6-10H2,1H3,(H,19,24)(H,20,21,22)/t11-,13-/m0/s1
InChIKeyIQGWGRMZKWAELQ-AAEUAGOBSA-N
XLogP1.00
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (5S)-N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-4,5,6,7-tetrahydro-2H-benzotriazole-5-carboxamide with MolForge

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Related Compounds

1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-methylurea
CID 46383472
ethyl N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]carbamate
CID 110348137
N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-2-ethylbutanamide
CID 110348089
1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-ethylurea
CID 46383476
N-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136885591
1-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(2-methylpropyl)urea
CID 92881544
N-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-1-hydroxycyclopentane-1-carboxamide
CID 110922742
1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(3-methylbutyl)urea
CID 46383468
(3R)-N-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 95597531
2-amino-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 20806588
phenyl N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]carbamate
CID 110348139
(2S)-1-(2,3-dihydroindol-1-yl)-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-1-one
CID 2447407

Frequently Asked Questions

What is the IUPAC name of (5S)-N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-4,5,6,7-tetrahydro-2H-benzotriazole-5-carboxamide?
The IUPAC name of (5S)-N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-4,5,6,7-tetrahydro-2H-benzotriazole-5-carboxamide (CID 124731170) is (5S)-N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-4,5,6,7-tetrahydro-2H-benzotriazole-5-carboxamide.
What is the SMILES notation for (5S)-N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-4,5,6,7-tetrahydro-2H-benzotriazole-5-carboxamide?
The canonical SMILES for (5S)-N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-4,5,6,7-tetrahydro-2H-benzotriazole-5-carboxamide is C[C@H](NC(=O)[C@H]1CCc2n[nH]nc2C1)C(=O)N1CCc2ccccc21.
What is the InChIKey of (5S)-N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-4,5,6,7-tetrahydro-2H-benzotriazole-5-carboxamide?
The InChIKey is IQGWGRMZKWAELQ-AAEUAGOBSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-11(18(25)23-9-8-12-4-2-3-5-16(12)23)19-17(24)13-6-7-14-15(10-13)21-22-20-14/h2-5,11,13H,6-10H2,1H3,(H,19,24)(H,20,21,22)/t11-,13-/m0/s1.
What are the key properties of (5S)-N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-4,5,6,7-tetrahydro-2H-benzotriazole-5-carboxamide?
(5S)-N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-4,5,6,7-tetrahydro-2H-benzotriazole-5-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-4,5,6,7-tetrahydro-2H-benzotriazole-5-carboxamide is sourced from PubChem (CID 124731170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).