(2R)-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-methyloctanamide;dihydrochloride

C28H50Cl2N2O5 — CID 172818936

IUPAC(2R)-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-methyloctanamide;dihydrochloride
SMILESCOCCCOc1cc(CCCCCC[C@@H](C)C(=O)NCCN2C[C@H](C)O[C@@H](C)C2)ccc1OC.Cl.Cl
InChIInChI=1S/C28H48N2O5.2ClH/c1-22(28(31)29-15-16-30-20-23(2)35-24(3)21-30)11-8-6-7-9-12-25-13-14-26(33-5)27(19-25)34-18-10-17-32-4;;/h13-14,19,22-24H,6-12,15-18,20-21H2,1-5H3,(H,29,31);2*1H/t22-,23+,24+;;/m1../s1
InChIKeyTYPRYHGCNGETTR-YWPXPAAVSA-N
MW565.62 g/mol
LogP5.31
Rot. Bonds17

About (2R)-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-methyloctanamide;dihydrochloride

(2R)-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-methyloctanamide;dihydrochloride (PubChem CID 172818936) has the molecular formula C28H50Cl2N2O5 and a molecular weight of 565.62 g/mol. Its IUPAC name is (2R)-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-methyloctanamide;dihydrochloride.

Molecular Properties

Compound Name(2R)-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-methyloctanamide;dihydrochloride
PubChem CID172818936
Molecular FormulaC28H50Cl2N2O5
Molecular Weight565.62 g/mol
Exact Mass564.31
IUPAC Name(2R)-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-methyloctanamide;dihydrochloride
SMILESCOCCCOc1cc(CCCCCC[C@@H](C)C(=O)NCCN2C[C@H](C)O[C@@H](C)C2)ccc1OC.Cl.Cl
InChIInChI=1S/C28H48N2O5.2ClH/c1-22(28(31)29-15-16-30-20-23(2)35-24(3)21-30)11-8-6-7-9-12-25-13-14-26(33-5)27(19-25)34-18-10-17-32-4;;/h13-14,19,22-24H,6-12,15-18,20-21H2,1-5H3,(H,29,31);2*1H/t22-,23+,24+;;/m1../s1
InChIKeyTYPRYHGCNGETTR-YWPXPAAVSA-N
XLogP5.31
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.62
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2R)-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-methyloctanamide;dihydrochloride with MolForge

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Related Compounds

(2R)-N-(2-acetamidoethyl)-8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-methyloctanamide
CID 154511678
(2R)-N-(3-tert-butylsulfonylpropyl)-8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-methyloctanamide;hydrochloride
CID 172865516
8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-methyloctanamide
CID 141057465
(2S,6S)-N-[3-(3,4-dimethoxyphenyl)propyl]-2,6-dimethylmorpholine-4-carboxamide
CID 95086958
N-[3-(3,4-dimethoxyphenyl)propyl]-2,6-dimethylmorpholine-4-carboxamide
CID 48568258
1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-[3-(3-ethoxy-4-methoxyphenyl)propyl]-2-methylguanidine;hydroiodide
CID 111574324
1-[1-(3,4-dimethoxyphenyl)ethyl]-3-[2-(2,6-dimethylmorpholin-4-yl)ethyl]urea
CID 55793848
(2R,4S,5S,7S)-5-amino-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-2,8-dimethyl-N-(2-morpholin-4-ylethyl)nonanamide
CID 23625021
5-amino-4-hydroxy-N-[2-(4-hydroxypiperidin-1-yl)ethyl]-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-2,8-dimethylnonanamide
CID 56663749
4-[4-methoxy-3-(3-methoxypropoxy)phenyl]butan-2-amine
CID 118279248
(2R,4S,5S,7S)-5-amino-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-2,8-dimethylnonanamide;hydrochloride
CID 23625024
3-(difluoromethoxy)-N-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propyl]-4-methoxybenzamide
CID 51953209

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-methyloctanamide;dihydrochloride?
The IUPAC name of (2R)-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-methyloctanamide;dihydrochloride (CID 172818936) is (2R)-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-methyloctanamide;dihydrochloride.
What is the SMILES notation for (2R)-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-methyloctanamide;dihydrochloride?
The canonical SMILES for (2R)-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-methyloctanamide;dihydrochloride is COCCCOc1cc(CCCCCC[C@@H](C)C(=O)NCCN2C[C@H](C)O[C@@H](C)C2)ccc1OC.Cl.Cl.
What is the InChIKey of (2R)-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-methyloctanamide;dihydrochloride?
The InChIKey is TYPRYHGCNGETTR-YWPXPAAVSA-N. The full InChI is InChI=1S/C28H48N2O5.2ClH/c1-22(28(31)29-15-16-30-20-23(2)35-24(3)21-30)11-8-6-7-9-12-25-13-14-26(33-5)27(19-25)34-18-10-17-32-4;;/h13-14,19,22-24H,6-12,15-18,20-21H2,1-5H3,(H,29,31);2*1H/t22-,23+,24+;;/m1../s1.
What are the key properties of (2R)-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-methyloctanamide;dihydrochloride?
(2R)-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-methyloctanamide;dihydrochloride has a molecular weight of 565.62 g/mol, XLogP of 5.31, 17 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-methyloctanamide;dihydrochloride is sourced from PubChem (CID 172818936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).