(2R,4S,5S,7S)-5-amino-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-2,8-dimethyl-N-(2-pyridin-2-ylethyl)nonanamide;hydrochloride

C30H48ClN3O5 — CID 22874640

IUPAC(2R,4S,5S,7S)-5-amino-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-2,8-dimethyl-N-(2-pyridin-2-ylethyl)nonanamide;hydrochloride
SMILESCOCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCc2ccccn2)C(C)C)ccc1OC.Cl
InChIInChI=1S/C30H47N3O5.ClH/c1-21(2)24(18-23-10-11-28(37-5)29(19-23)38-16-8-15-36-4)20-26(31)27(34)17-22(3)30(35)33-14-12-25-9-6-7-13-32-25;/h6-7,9-11,13,19,21-22,24,26-27,34H,8,12,14-18,20,31H2,1-5H3,(H,33,35);1H/t22-,24+,26+,27+;/m1./s1
InChIKeyOSZNQSYIOJDNTQ-AJVBMILFSA-N
MW566.18 g/mol
LogP4.21
Rot. Bonds18

About (2R,4S,5S,7S)-5-amino-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-2,8-dimethyl-N-(2-pyridin-2-ylethyl)nonanamide;hydrochloride

(2R,4S,5S,7S)-5-amino-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-2,8-dimethyl-N-(2-pyridin-2-ylethyl)nonanamide;hydrochloride (PubChem CID 22874640) has the molecular formula C30H48ClN3O5 and a molecular weight of 566.18 g/mol. Its IUPAC name is (2R,4S,5S,7S)-5-amino-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-2,8-dimethyl-N-(2-pyridin-2-ylethyl)nonanamide;hydrochloride.

Molecular Properties

Compound Name(2R,4S,5S,7S)-5-amino-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-2,8-dimethyl-N-(2-pyridin-2-ylethyl)nonanamide;hydrochloride
PubChem CID22874640
Molecular FormulaC30H48ClN3O5
Molecular Weight566.18 g/mol
Exact Mass565.33
IUPAC Name(2R,4S,5S,7S)-5-amino-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-2,8-dimethyl-N-(2-pyridin-2-ylethyl)nonanamide;hydrochloride
SMILESCOCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCc2ccccn2)C(C)C)ccc1OC.Cl
InChIInChI=1S/C30H47N3O5.ClH/c1-21(2)24(18-23-10-11-28(37-5)29(19-23)38-16-8-15-36-4)20-26(31)27(34)17-22(3)30(35)33-14-12-25-9-6-7-13-32-25;/h6-7,9-11,13,19,21-22,24,26-27,34H,8,12,14-18,20,31H2,1-5H3,(H,33,35);1H/t22-,24+,26+,27+;/m1./s1
InChIKeyOSZNQSYIOJDNTQ-AJVBMILFSA-N
XLogP4.21
TPSA115.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500566.18
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (2R,4S,5S,7S)-5-amino-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-2,8-dimethyl-N-(2-pyridin-2-ylethyl)nonanamide;hydrochloride with MolForge

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Related Compounds

(2R,4S,5S,7S)-5-amino-4-hydroxy-7-{[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl}-2,8-dimethyl-N-[2-(pyridin-2-yl)ethyl]nonanamide
CID 10052707
(2R,4S,5S,7S)-5-amino-N-butyl-4-hydroxy-7-{[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]methyl}-2,8-dimethylnonanamide
CID 10074684
(2R,4S,5S,7S)-5-amino-N-butyl-7-{[4-tert-butyl-3-(pyridin-4-ylmethoxy)phenyl]methyl}-4-hydroxy-2,8-dimethylnonanamide
CID 23644729
(2R,3R,4R,5R)-N,N'-bis[(2S)-2,3-dimethylbutanoyl]-2,3,4-trihydroxy-5-(4-pyridin-2-ylphenoxy)hexanediamide
CID 44398450
(2S,4S,5S,7S)-5-amino-N-[2,2-dimethyl-3-[4-(piperidin-1-ylmethyl)triazol-1-yl]propyl]-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide;hydrochloride
CID 122195181
(2R,4S,5S,7S)-5-amino-N-butyl-4-hydroxy-7-[[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]methyl]-2,8-dimethylnonanamide;hydrochloride
CID 23625791
trans-(1S,2S)-N-[(1R)-2-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 71201939
N-{4-[(R)-1-(3-Cyclopentyloxy-4-methoxy-phenyl)-2-pyridin-4-yl-ethyl]-phenyl}-butyramide
CID 44282472
(2R,4S,5S,7S)-5-amino-N-butyl-7-[[4-tert-butyl-3-(pyridin-4-ylmethoxy)phenyl]methyl]-4-hydroxy-2,8-dimethylnonanamide;hydrochloride
CID 45263606
(3R,4S)-N-cyclopropyl-N-[[3-(2-methoxyethoxy)-5-(3-methoxypropyl)phenyl]methyl]-4-pyridin-3-ylpiperidine-3-carboxamide
CID 56676730
(2S,4S,5S,7S)-5-amino-N-(2,2-dimethyl-3-pyridin-3-ylpropyl)-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide;hydrochloride
CID 122194986
(2S,4S,5S,7S)-5-amino-N-(2,2-dimethyl-3-pyridin-4-ylpropyl)-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide;hydrochloride
CID 122194987

Frequently Asked Questions

What is the IUPAC name of (2R,4S,5S,7S)-5-amino-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-2,8-dimethyl-N-(2-pyridin-2-ylethyl)nonanamide;hydrochloride?
The IUPAC name of (2R,4S,5S,7S)-5-amino-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-2,8-dimethyl-N-(2-pyridin-2-ylethyl)nonanamide;hydrochloride (CID 22874640) is (2R,4S,5S,7S)-5-amino-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-2,8-dimethyl-N-(2-pyridin-2-ylethyl)nonanamide;hydrochloride.
What is the SMILES notation for (2R,4S,5S,7S)-5-amino-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-2,8-dimethyl-N-(2-pyridin-2-ylethyl)nonanamide;hydrochloride?
The canonical SMILES for (2R,4S,5S,7S)-5-amino-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-2,8-dimethyl-N-(2-pyridin-2-ylethyl)nonanamide;hydrochloride is COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCc2ccccn2)C(C)C)ccc1OC.Cl.
What is the InChIKey of (2R,4S,5S,7S)-5-amino-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-2,8-dimethyl-N-(2-pyridin-2-ylethyl)nonanamide;hydrochloride?
The InChIKey is OSZNQSYIOJDNTQ-AJVBMILFSA-N. The full InChI is InChI=1S/C30H47N3O5.ClH/c1-21(2)24(18-23-10-11-28(37-5)29(19-23)38-16-8-15-36-4)20-26(31)27(34)17-22(3)30(35)33-14-12-25-9-6-7-13-32-25;/h6-7,9-11,13,19,21-22,24,26-27,34H,8,12,14-18,20,31H2,1-5H3,(H,33,35);1H/t22-,24+,26+,27+;/m1./s1.
What are the key properties of (2R,4S,5S,7S)-5-amino-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-2,8-dimethyl-N-(2-pyridin-2-ylethyl)nonanamide;hydrochloride?
(2R,4S,5S,7S)-5-amino-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-2,8-dimethyl-N-(2-pyridin-2-ylethyl)nonanamide;hydrochloride has a molecular weight of 566.18 g/mol, XLogP of 4.21, 18 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,5S,7S)-5-amino-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-2,8-dimethyl-N-(2-pyridin-2-ylethyl)nonanamide;hydrochloride is sourced from PubChem (CID 22874640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).