N-[6-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl]acetamide

C22H28N2O3 — CID 69330059

About N-[6-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl]acetamide

N-[6-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl]acetamide (PubChem CID 69330059) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[6-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl]acetamide.

Molecular Properties

• Compound Name: N-[6-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl]acetamide
• PubChem CID: 69330059
• Molecular Formula: C22H28N2O3
• Molecular Weight: 368.48 g/mol
• Exact Mass: 368.21
• IUPAC Name: N-[6-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl]acetamide
• SMILES: CC(=O)Nc1ccc2c(c1)CC(NC[C@H](O)COc1ccccc1)CCC2
• InChI: InChI=1S/C22H28N2O3/c1-16(25)24-20-11-10-17-6-5-7-19(12-18(17)13-20)23-14-21(26)15-27-22-8-3-2-4-9-22/h2-4,8-11,13,19,21,23,26H,5-7,12,14-15H2,1H3,(H,24,25)/t19?,21-/m0/s1
• InChIKey: UWFIARVDCFMVKP-QWAKEFERSA-N
• XLogP: 2.92
• TPSA: 70.59 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.48
LogP ≤ 5	2.92
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[6-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl]acetamide?

The IUPAC name of N-[6-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl]acetamide (CID 69330059) is N-[6-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl]acetamide.

What is the SMILES notation for N-[6-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl]acetamide?

The canonical SMILES for N-[6-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl]acetamide is CC(=O)Nc1ccc2c(c1)CC(NC[C@H](O)COc1ccccc1)CCC2.

What is the InChIKey of N-[6-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl]acetamide?

The InChIKey is UWFIARVDCFMVKP-QWAKEFERSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-16(25)24-20-11-10-17-6-5-7-19(12-18(17)13-20)23-14-21(26)15-27-22-8-3-2-4-9-22/h2-4,8-11,13,19,21,23,26H,5-7,12,14-15H2,1H3,(H,24,25)/t19?,21-/m0/s1.

What are the key properties of N-[6-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl]acetamide?

N-[6-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl]acetamide has a molecular weight of 368.48 g/mol, XLogP of 2.92, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl]acetamide is sourced from PubChem (CID 69330059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).