(2S,4S,5S,7S)-5-amino-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-N-[2-(morpholin-4-ylamino)-2-oxoethyl]-2-propan-2-ylnonanamide;hydrochloride

C31H55ClN4O7 — CID 70050427

About (2S,4S,5S,7S)-5-amino-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-N-[2-(morpholin-4-ylamino)-2-oxoethyl]-2-propan-2-ylnonanamide;hydrochloride

(2S,4S,5S,7S)-5-amino-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-N-[2-(morpholin-4-ylamino)-2-oxoethyl]-2-propan-2-ylnonanamide;hydrochloride (PubChem CID 70050427) has the molecular formula C31H55ClN4O7 and a molecular weight of 631.25 g/mol. Its IUPAC name is (2S,4S,5S,7S)-5-amino-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-N-[2-(morpholin-4-ylamino)-2-oxoethyl]-2-propan-2-ylnonanamide;hydrochloride.

Molecular Properties

• Compound Name: (2S,4S,5S,7S)-5-amino-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-N-[2-(morpholin-4-ylamino)-2-oxoethyl]-2-propan-2-ylnonanamide;hydrochloride
• PubChem CID: 70050427
• Molecular Formula: C31H55ClN4O7
• Molecular Weight: 631.25 g/mol
• Exact Mass: 630.38
• IUPAC Name: (2S,4S,5S,7S)-5-amino-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-N-[2-(morpholin-4-ylamino)-2-oxoethyl]-2-propan-2-ylnonanamide;hydrochloride
• SMILES: COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@H](C(=O)NCC(=O)NN2CCOCC2)C(C)C)C(C)C)ccc1OC.Cl
• InChI: InChI=1S/C31H54N4O7.ClH/c1-21(2)24(16-23-8-9-28(40-6)29(17-23)42-13-7-12-39-5)18-26(32)27(36)19-25(22(3)4)31(38)33-20-30(37)34-35-10-14-41-15-11-35;/h8-9,17,21-22,24-27,36H,7,10-16,18-20,32H2,1-6H3,(H,33,38)(H,34,37);1H/t24-,25-,26-,27-;/m0./s1
• InChIKey: VTLXGQXHGKCFRD-LQHVCSEWSA-N
• XLogP: 2.57
• TPSA: 144.61 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 19
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	631.25
LogP ≤ 5	2.57
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

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-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-N-[2-(morpholin-4-ylamino)-2-oxoethyl]-2-propan-2-ylnonanamide;hydrochloride?

The IUPAC name of (2S,4S,5S,7S)-5-amino-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-N-[2-(morpholin-4-ylamino)-2-oxoethyl]-2-propan-2-ylnonanamide;hydrochloride (CID 70050427) is (2S,4S,5S,7S)-5-amino-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-N-[2-(morpholin-4-ylamino)-2-oxoethyl]-2-propan-2-ylnonanamide;hydrochloride.

What is the SMILES notation for (2S,4S,5S,7S)-5-amino-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-N-[2-(morpholin-4-ylamino)-2-oxoethyl]-2-propan-2-ylnonanamide;hydrochloride?

The canonical SMILES for (2S,4S,5S,7S)-5-amino-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-N-[2-(morpholin-4-ylamino)-2-oxoethyl]-2-propan-2-ylnonanamide;hydrochloride is COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@H](C(=O)NCC(=O)NN2CCOCC2)C(C)C)C(C)C)ccc1OC.Cl.

What is the InChIKey of (2S,4S,5S,7S)-5-amino-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-N-[2-(morpholin-4-ylamino)-2-oxoethyl]-2-propan-2-ylnonanamide;hydrochloride?

The InChIKey is VTLXGQXHGKCFRD-LQHVCSEWSA-N. The full InChI is InChI=1S/C31H54N4O7.ClH/c1-21(2)24(16-23-8-9-28(40-6)29(17-23)42-13-7-12-39-5)18-26(32)27(36)19-25(22(3)4)31(38)33-20-30(37)34-35-10-14-41-15-11-35;/h8-9,17,21-22,24-27,36H,7,10-16,18-20,32H2,1-6H3,(H,33,38)(H,34,37);1H/t24-,25-,26-,27-;/m0./s1.

What are the key properties of (2S,4S,5S,7S)-5-amino-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-N-[2-(morpholin-4-ylamino)-2-oxoethyl]-2-propan-2-ylnonanamide;hydrochloride?

(2S,4S,5S,7S)-5-amino-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-N-[2-(morpholin-4-ylamino)-2-oxoethyl]-2-propan-2-ylnonanamide;hydrochloride has a molecular weight of 631.25 g/mol, XLogP of 2.57, 19 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,4S,5S,7S)-5-amino-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-N-[2-(morpholin-4-ylamino)-2-oxoethyl]-2-propan-2-ylnonanamide;hydrochloride is sourced from PubChem (CID 70050427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).