(2R,4S,5S)-5-amino-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-6-phenylhexanamide

C34H43N3O5 — CID 70058052

About (2R,4S,5S)-5-amino-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-6-phenylhexanamide

(2R,4S,5S)-5-amino-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-6-phenylhexanamide (PubChem CID 70058052) has the molecular formula C34H43N3O5 and a molecular weight of 573.73 g/mol. Its IUPAC name is (2R,4S,5S)-5-amino-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-6-phenylhexanamide.

Molecular Properties

• Compound Name: (2R,4S,5S)-5-amino-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-6-phenylhexanamide
• PubChem CID: 70058052
• Molecular Formula: C34H43N3O5
• Molecular Weight: 573.73 g/mol
• Exact Mass: 573.32
• IUPAC Name: (2R,4S,5S)-5-amino-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-6-phenylhexanamide
• SMILES: N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccc(OCCN2CCOCC2)cc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O
• InChI: InChI=1S/C34H43N3O5/c35-30(21-24-6-2-1-3-7-24)31(38)23-27(34(40)36-33-29-9-5-4-8-26(29)22-32(33)39)20-25-10-12-28(13-11-25)42-19-16-37-14-17-41-18-15-37/h1-13,27,30-33,38-39H,14-23,35H2,(H,36,40)/t27-,30+,31+,32-,33+/m1/s1
• InChIKey: XAWTWVHKBNMMQB-HXPZKNJNSA-N
• XLogP: 2.65
• TPSA: 117.28 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 13
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	573.73
LogP ≤ 5	2.65
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2R,4S,5S)-5-amino-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-6-phenylhexanamide?

The IUPAC name of (2R,4S,5S)-5-amino-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-6-phenylhexanamide (CID 70058052) is (2R,4S,5S)-5-amino-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-6-phenylhexanamide.

What is the SMILES notation for (2R,4S,5S)-5-amino-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-6-phenylhexanamide?

The canonical SMILES for (2R,4S,5S)-5-amino-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-6-phenylhexanamide is N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccc(OCCN2CCOCC2)cc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O.

What is the InChIKey of (2R,4S,5S)-5-amino-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-6-phenylhexanamide?

The InChIKey is XAWTWVHKBNMMQB-HXPZKNJNSA-N. The full InChI is InChI=1S/C34H43N3O5/c35-30(21-24-6-2-1-3-7-24)31(38)23-27(34(40)36-33-29-9-5-4-8-26(29)22-32(33)39)20-25-10-12-28(13-11-25)42-19-16-37-14-17-41-18-15-37/h1-13,27,30-33,38-39H,14-23,35H2,(H,36,40)/t27-,30+,31+,32-,33+/m1/s1.

What are the key properties of (2R,4S,5S)-5-amino-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-6-phenylhexanamide?

(2R,4S,5S)-5-amino-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-6-phenylhexanamide has a molecular weight of 573.73 g/mol, XLogP of 2.65, 13 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,4S,5S)-5-amino-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-6-phenylhexanamide is sourced from PubChem (CID 70058052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).