N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-(1-methylindazol-6-yl)oxyacetamide

C21H24N4O3 — CID 90335396

IUPACN-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-(1-methylindazol-6-yl)oxyacetamide
SMILESCn1ncc2ccc(OCC(=O)NC[C@H](O)CN3Cc4ccccc4C3)cc21
InChIInChI=1S/C21H24N4O3/c1-24-20-8-19(7-6-15(20)9-23-24)28-14-21(27)22-10-18(26)13-25-11-16-4-2-3-5-17(16)12-25/h2-9,18,26H,10-14H2,1H3,(H,22,27)/t18-/m0/s1
InChIKeySUHQIRQQEIQPHM-SFHVURJKSA-N
MW380.45 g/mol
LogP1.45
Rot. Bonds7

About N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-(1-methylindazol-6-yl)oxyacetamide

N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-(1-methylindazol-6-yl)oxyacetamide (PubChem CID 90335396) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-(1-methylindazol-6-yl)oxyacetamide.

Molecular Properties

Compound NameN-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-(1-methylindazol-6-yl)oxyacetamide
PubChem CID90335396
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC NameN-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-(1-methylindazol-6-yl)oxyacetamide
SMILESCn1ncc2ccc(OCC(=O)NC[C@H](O)CN3Cc4ccccc4C3)cc21
InChIInChI=1S/C21H24N4O3/c1-24-20-8-19(7-6-15(20)9-23-24)28-14-21(27)22-10-18(26)13-25-11-16-4-2-3-5-17(16)12-25/h2-9,18,26H,10-14H2,1H3,(H,22,27)/t18-/m0/s1
InChIKeySUHQIRQQEIQPHM-SFHVURJKSA-N
XLogP1.45
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-(1-methylindazol-6-yl)oxyacetamide?
The IUPAC name of N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-(1-methylindazol-6-yl)oxyacetamide (CID 90335396) is N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-(1-methylindazol-6-yl)oxyacetamide.
What is the SMILES notation for N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-(1-methylindazol-6-yl)oxyacetamide?
The canonical SMILES for N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-(1-methylindazol-6-yl)oxyacetamide is Cn1ncc2ccc(OCC(=O)NC[C@H](O)CN3Cc4ccccc4C3)cc21.
What is the InChIKey of N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-(1-methylindazol-6-yl)oxyacetamide?
The InChIKey is SUHQIRQQEIQPHM-SFHVURJKSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-24-20-8-19(7-6-15(20)9-23-24)28-14-21(27)22-10-18(26)13-25-11-16-4-2-3-5-17(16)12-25/h2-9,18,26H,10-14H2,1H3,(H,22,27)/t18-/m0/s1.
What are the key properties of N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-(1-methylindazol-6-yl)oxyacetamide?
N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-(1-methylindazol-6-yl)oxyacetamide has a molecular weight of 380.45 g/mol, XLogP of 1.45, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-(1-methylindazol-6-yl)oxyacetamide is sourced from PubChem (CID 90335396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).