(2S,4S,5S,7S)-5-amino-N-[(3R)-1-(dimethylamino)-4-methyl-1-oxopentan-3-yl]-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide;hydrochloride

C33H60ClN3O6 — CID 70050607

About (2S,4S,5S,7S)-5-amino-N-[(3R)-1-(dimethylamino)-4-methyl-1-oxopentan-3-yl]-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide;hydrochloride

(2S,4S,5S,7S)-5-amino-N-[(3R)-1-(dimethylamino)-4-methyl-1-oxopentan-3-yl]-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide;hydrochloride (PubChem CID 70050607) has the molecular formula C33H60ClN3O6 and a molecular weight of 630.31 g/mol. Its IUPAC name is (2S,4S,5S,7S)-5-amino-N-[(3R)-1-(dimethylamino)-4-methyl-1-oxopentan-3-yl]-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide;hydrochloride.

Molecular Properties

• Compound Name: (2S,4S,5S,7S)-5-amino-N-[(3R)-1-(dimethylamino)-4-methyl-1-oxopentan-3-yl]-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide;hydrochloride
• PubChem CID: 70050607
• Molecular Formula: C33H60ClN3O6
• Molecular Weight: 630.31 g/mol
• Exact Mass: 629.42
• IUPAC Name: (2S,4S,5S,7S)-5-amino-N-[(3R)-1-(dimethylamino)-4-methyl-1-oxopentan-3-yl]-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide;hydrochloride
• SMILES: COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@H](C(=O)N[C@H](CC(=O)N(C)C)C(C)C)C(C)C)C(C)C)ccc1OC.Cl
• InChI: InChI=1S/C33H59N3O6.ClH/c1-21(2)25(16-24-12-13-30(41-10)31(17-24)42-15-11-14-40-9)18-27(34)29(37)19-26(22(3)4)33(39)35-28(23(5)6)20-32(38)36(7)8;/h12-13,17,21-23,25-29,37H,11,14-16,18-20,34H2,1-10H3,(H,35,39);1H/t25-,26-,27-,28+,29-;/m0./s1
• InChIKey: FLUOVPVORCUYOV-PEYRMQCJSA-N
• XLogP: 4.71
• TPSA: 123.35 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 20
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	630.31
LogP ≤ 5	4.71
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S,4S,5S,7S)-5-amino-N-[(3R)-1-(dimethylamino)-4-methyl-1-oxopentan-3-yl]-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide;hydrochloride?

The IUPAC name of (2S,4S,5S,7S)-5-amino-N-[(3R)-1-(dimethylamino)-4-methyl-1-oxopentan-3-yl]-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide;hydrochloride (CID 70050607) is (2S,4S,5S,7S)-5-amino-N-[(3R)-1-(dimethylamino)-4-methyl-1-oxopentan-3-yl]-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide;hydrochloride.

What is the SMILES notation for (2S,4S,5S,7S)-5-amino-N-[(3R)-1-(dimethylamino)-4-methyl-1-oxopentan-3-yl]-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide;hydrochloride?

The canonical SMILES for (2S,4S,5S,7S)-5-amino-N-[(3R)-1-(dimethylamino)-4-methyl-1-oxopentan-3-yl]-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide;hydrochloride is COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@H](C(=O)N[C@H](CC(=O)N(C)C)C(C)C)C(C)C)C(C)C)ccc1OC.Cl.

What is the InChIKey of (2S,4S,5S,7S)-5-amino-N-[(3R)-1-(dimethylamino)-4-methyl-1-oxopentan-3-yl]-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide;hydrochloride?

The InChIKey is FLUOVPVORCUYOV-PEYRMQCJSA-N. The full InChI is InChI=1S/C33H59N3O6.ClH/c1-21(2)25(16-24-12-13-30(41-10)31(17-24)42-15-11-14-40-9)18-27(34)29(37)19-26(22(3)4)33(39)35-28(23(5)6)20-32(38)36(7)8;/h12-13,17,21-23,25-29,37H,11,14-16,18-20,34H2,1-10H3,(H,35,39);1H/t25-,26-,27-,28+,29-;/m0./s1.

What are the key properties of (2S,4S,5S,7S)-5-amino-N-[(3R)-1-(dimethylamino)-4-methyl-1-oxopentan-3-yl]-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide;hydrochloride?

(2S,4S,5S,7S)-5-amino-N-[(3R)-1-(dimethylamino)-4-methyl-1-oxopentan-3-yl]-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide;hydrochloride has a molecular weight of 630.31 g/mol, XLogP of 4.71, 20 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,4S,5S,7S)-5-amino-N-[(3R)-1-(dimethylamino)-4-methyl-1-oxopentan-3-yl]-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide;hydrochloride is sourced from PubChem (CID 70050607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).