2-[[(2R)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide

C24H29N3O3 — CID 41084504

About 2-[[(2R)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide

2-[[(2R)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide (PubChem CID 41084504) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is 2-[[(2R)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide.

Molecular Properties

• Compound Name: 2-[[(2R)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
• PubChem CID: 41084504
• Molecular Formula: C24H29N3O3
• Molecular Weight: 407.51 g/mol
• Exact Mass: 407.22
• IUPAC Name: 2-[[(2R)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
• SMILES: C[C@@H](Nc1ccccc1C(=O)NC[C@@H]1CCCO1)C(=O)Nc1ccc2c(c1)CCC2
• InChI: InChI=1S/C24H29N3O3/c1-16(23(28)27-19-12-11-17-6-4-7-18(17)14-19)26-22-10-3-2-9-21(22)24(29)25-15-20-8-5-13-30-20/h2-3,9-12,14,16,20,26H,4-8,13,15H2,1H3,(H,25,29)(H,27,28)/t16-,20+/m1/s1
• InChIKey: XXJNDJFOHRKWEH-UZLBHIALSA-N
• XLogP: 3.52
• TPSA: 79.46 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.51
LogP ≤ 5	3.52
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide?

The IUPAC name of 2-[[(2R)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide (CID 41084504) is 2-[[(2R)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide.

What is the SMILES notation for 2-[[(2R)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide?

The canonical SMILES for 2-[[(2R)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide is C[C@@H](Nc1ccccc1C(=O)NC[C@@H]1CCCO1)C(=O)Nc1ccc2c(c1)CCC2.

What is the InChIKey of 2-[[(2R)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide?

The InChIKey is XXJNDJFOHRKWEH-UZLBHIALSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-16(23(28)27-19-12-11-17-6-4-7-18(17)14-19)26-22-10-3-2-9-21(22)24(29)25-15-20-8-5-13-30-20/h2-3,9-12,14,16,20,26H,4-8,13,15H2,1H3,(H,25,29)(H,27,28)/t16-,20+/m1/s1.

What are the key properties of 2-[[(2R)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide?

2-[[(2R)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide has a molecular weight of 407.51 g/mol, XLogP of 3.52, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[(2R)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 41084504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).