N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide;(2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-(3,4,5-trimethoxyphenyl)butanamide;methane

C45H62N2O10 — CID 158910515

IUPACN-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide;(2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-(3,4,5-trimethoxyphenyl)butanamide;methane
SMILESC.CC[C@@H](C(=O)N(C)[C@@H](C)[C@@H](O)c1ccccc1)c1cc(OC)c(OC)c(OC)c1.COc1cc(CC(=O)N(C)[C@@H](C)[C@@H](O)c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C23H31NO5.C21H27NO5.CH4/c1-7-18(17-13-19(27-4)22(29-6)20(14-17)28-5)23(26)24(3)15(2)21(25)16-11-9-8-10-12-16;1-14(20(24)16-9-7-6-8-10-16)22(2)19(23)13-15-11-17(25-3)21(27-5)18(12-15)26-4;/h8-15,18,21,25H,7H2,1-6H3;6-12,14,20,24H,13H2,1-5H3;1H4/t15-,18+,21+;14-,20+;/m00./s1
InChIKeyJGOXEVKIOVMCKJ-HIQJVXQASA-N
MW790.99 g/mol
LogP7.26
Rot. Bonds17

About N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide;(2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-(3,4,5-trimethoxyphenyl)butanamide;methane

N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide;(2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-(3,4,5-trimethoxyphenyl)butanamide;methane (PubChem CID 158910515) has the molecular formula C45H62N2O10 and a molecular weight of 790.99 g/mol. Its IUPAC name is N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide;(2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-(3,4,5-trimethoxyphenyl)butanamide;methane.

Molecular Properties

Compound NameN-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide;(2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-(3,4,5-trimethoxyphenyl)butanamide;methane
PubChem CID158910515
Molecular FormulaC45H62N2O10
Molecular Weight790.99 g/mol
Exact Mass790.44
IUPAC NameN-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide;(2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-(3,4,5-trimethoxyphenyl)butanamide;methane
SMILESC.CC[C@@H](C(=O)N(C)[C@@H](C)[C@@H](O)c1ccccc1)c1cc(OC)c(OC)c(OC)c1.COc1cc(CC(=O)N(C)[C@@H](C)[C@@H](O)c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C23H31NO5.C21H27NO5.CH4/c1-7-18(17-13-19(27-4)22(29-6)20(14-17)28-5)23(26)24(3)15(2)21(25)16-11-9-8-10-12-16;1-14(20(24)16-9-7-6-8-10-16)22(2)19(23)13-15-11-17(25-3)21(27-5)18(12-15)26-4;/h8-15,18,21,25H,7H2,1-6H3;6-12,14,20,24H,13H2,1-5H3;1H4/t15-,18+,21+;14-,20+;/m00./s1
InChIKeyJGOXEVKIOVMCKJ-HIQJVXQASA-N
XLogP7.26
TPSA136.46 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds17
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500790.99
LogP ≤ 57.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide;(2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-(3,4,5-trimethoxyphenyl)butanamide;methane with MolForge

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Related Compounds

2-(3,4-dimethoxy-5-methylphenyl)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide
CID 122595148
(2S)-2-(3,4-dimethoxyphenyl)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbutanamide
CID 11793595
(2S)-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-(3,4,5-trimethoxyphenyl)pent-4-enamide
CID 100985394
(2S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-2-(3-methoxy-4,5-dimethylphenyl)-N-methylbutanamide
CID 90225512
N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-phenylacetamide
CID 54856748
N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide
CID 11138684
(2R,3R)-3-hydroxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethylpentanamide
CID 100922135
(3R)-3-(3,5-dimethoxyphenyl)-3-hydroxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide
CID 11349310
(2R)-2-(3,4,5-trimethoxyphenyl)butanoic acid
CID 40634420
N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide
CID 11304930
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(1R)-1-phenylethyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 165389446
methyl (3R,4R)-5-[[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]-5-oxo-3,4-diphenylpentanoate
CID 12025473

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide;(2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-(3,4,5-trimethoxyphenyl)butanamide;methane?
The IUPAC name of N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide;(2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-(3,4,5-trimethoxyphenyl)butanamide;methane (CID 158910515) is N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide;(2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-(3,4,5-trimethoxyphenyl)butanamide;methane.
What is the SMILES notation for N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide;(2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-(3,4,5-trimethoxyphenyl)butanamide;methane?
The canonical SMILES for N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide;(2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-(3,4,5-trimethoxyphenyl)butanamide;methane is C.CC[C@@H](C(=O)N(C)[C@@H](C)[C@@H](O)c1ccccc1)c1cc(OC)c(OC)c(OC)c1.COc1cc(CC(=O)N(C)[C@@H](C)[C@@H](O)c2ccccc2)cc(OC)c1OC.
What is the InChIKey of N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide;(2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-(3,4,5-trimethoxyphenyl)butanamide;methane?
The InChIKey is JGOXEVKIOVMCKJ-HIQJVXQASA-N. The full InChI is InChI=1S/C23H31NO5.C21H27NO5.CH4/c1-7-18(17-13-19(27-4)22(29-6)20(14-17)28-5)23(26)24(3)15(2)21(25)16-11-9-8-10-12-16;1-14(20(24)16-9-7-6-8-10-16)22(2)19(23)13-15-11-17(25-3)21(27-5)18(12-15)26-4;/h8-15,18,21,25H,7H2,1-6H3;6-12,14,20,24H,13H2,1-5H3;1H4/t15-,18+,21+;14-,20+;/m00./s1.
What are the key properties of N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide;(2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-(3,4,5-trimethoxyphenyl)butanamide;methane?
N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide;(2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-(3,4,5-trimethoxyphenyl)butanamide;methane has a molecular weight of 790.99 g/mol, XLogP of 7.26, 17 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide;(2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-(3,4,5-trimethoxyphenyl)butanamide;methane is sourced from PubChem (CID 158910515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).