N-[8-hydroxy-7-[1-[2-(methoxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-1,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]-2-methoxyacetamide

C24H42N2O5 — CID 75132089

IUPACN-[8-hydroxy-7-[1-[2-(methoxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-1,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]-2-methoxyacetamide
SMILESCOCC(=O)NC1CCC2(C)CCC(C(C)C(=O)N3CCCC3COC)C(O)C2C1C
InChIInChI=1S/C24H42N2O5/c1-15(23(29)26-12-6-7-17(26)13-30-4)18-8-10-24(3)11-9-19(25-20(27)14-31-5)16(2)21(24)22(18)28/h15-19,21-22,28H,6-14H2,1-5H3,(H,25,27)
InChIKeyHFGCQFMPWRGLET-UHFFFAOYSA-N
MW438.61 g/mol
LogP2.21
Rot. Bonds7

About N-[8-hydroxy-7-[1-[2-(methoxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-1,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]-2-methoxyacetamide

N-[8-hydroxy-7-[1-[2-(methoxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-1,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]-2-methoxyacetamide (PubChem CID 75132089) has the molecular formula C24H42N2O5 and a molecular weight of 438.61 g/mol. Its IUPAC name is N-[8-hydroxy-7-[1-[2-(methoxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-1,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[8-hydroxy-7-[1-[2-(methoxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-1,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]-2-methoxyacetamide
PubChem CID75132089
Molecular FormulaC24H42N2O5
Molecular Weight438.61 g/mol
Exact Mass438.31
IUPAC NameN-[8-hydroxy-7-[1-[2-(methoxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-1,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]-2-methoxyacetamide
SMILESCOCC(=O)NC1CCC2(C)CCC(C(C)C(=O)N3CCCC3COC)C(O)C2C1C
InChIInChI=1S/C24H42N2O5/c1-15(23(29)26-12-6-7-17(26)13-30-4)18-8-10-24(3)11-9-19(25-20(27)14-31-5)16(2)21(24)22(18)28/h15-19,21-22,28H,6-14H2,1-5H3,(H,25,27)
InChIKeyHFGCQFMPWRGLET-UHFFFAOYSA-N
XLogP2.21
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.61
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[8-hydroxy-7-[1-[2-(methoxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-1,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]-2-methoxyacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[8-hydroxy-7-[1-[2-(methoxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-1,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]-2-methoxyacetamide?
The IUPAC name of N-[8-hydroxy-7-[1-[2-(methoxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-1,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]-2-methoxyacetamide (CID 75132089) is N-[8-hydroxy-7-[1-[2-(methoxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-1,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[8-hydroxy-7-[1-[2-(methoxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-1,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]-2-methoxyacetamide?
The canonical SMILES for N-[8-hydroxy-7-[1-[2-(methoxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-1,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]-2-methoxyacetamide is COCC(=O)NC1CCC2(C)CCC(C(C)C(=O)N3CCCC3COC)C(O)C2C1C.
What is the InChIKey of N-[8-hydroxy-7-[1-[2-(methoxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-1,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]-2-methoxyacetamide?
The InChIKey is HFGCQFMPWRGLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42N2O5/c1-15(23(29)26-12-6-7-17(26)13-30-4)18-8-10-24(3)11-9-19(25-20(27)14-31-5)16(2)21(24)22(18)28/h15-19,21-22,28H,6-14H2,1-5H3,(H,25,27).
What are the key properties of N-[8-hydroxy-7-[1-[2-(methoxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-1,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]-2-methoxyacetamide?
N-[8-hydroxy-7-[1-[2-(methoxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-1,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]-2-methoxyacetamide has a molecular weight of 438.61 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-hydroxy-7-[1-[2-(methoxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-1,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]-2-methoxyacetamide is sourced from PubChem (CID 75132089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).