N-[(2S)-1-[[(4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]amino]-1-oxopropan-2-yl]-2-hydroxybenzamide

C18H24N2O8 — CID 102308060

IUPACN-[(2S)-1-[[(4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]amino]-1-oxopropan-2-yl]-2-hydroxybenzamide
SMILESCC1OC[C@H]2O[C@@H](NC(=O)[C@H](C)NC(=O)c3ccccc3O)[C@H](O)[C@@H](O)[C@@H]2O1
InChIInChI=1S/C18H24N2O8/c1-8(19-17(25)10-5-3-4-6-11(10)21)16(24)20-18-14(23)13(22)15-12(28-18)7-26-9(2)27-15/h3-6,8-9,12-15,18,21-23H,7H2,1-2H3,(H,19,25)(H,20,24)/t8-,9?,12+,13+,14+,15+,18+/m0/s1
InChIKeySONKDSVDJMOIRF-DEKNXZFASA-N
MW396.40 g/mol
LogP-1.17
Rot. Bonds4

About N-[(2S)-1-[[(4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]amino]-1-oxopropan-2-yl]-2-hydroxybenzamide

N-[(2S)-1-[[(4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]amino]-1-oxopropan-2-yl]-2-hydroxybenzamide (PubChem CID 102308060) has the molecular formula C18H24N2O8 and a molecular weight of 396.40 g/mol. Its IUPAC name is N-[(2S)-1-[[(4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]amino]-1-oxopropan-2-yl]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[(2S)-1-[[(4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]amino]-1-oxopropan-2-yl]-2-hydroxybenzamide
PubChem CID102308060
Molecular FormulaC18H24N2O8
Molecular Weight396.40 g/mol
Exact Mass396.15
IUPAC NameN-[(2S)-1-[[(4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]amino]-1-oxopropan-2-yl]-2-hydroxybenzamide
SMILESCC1OC[C@H]2O[C@@H](NC(=O)[C@H](C)NC(=O)c3ccccc3O)[C@H](O)[C@@H](O)[C@@H]2O1
InChIInChI=1S/C18H24N2O8/c1-8(19-17(25)10-5-3-4-6-11(10)21)16(24)20-18-14(23)13(22)15-12(28-18)7-26-9(2)27-15/h3-6,8-9,12-15,18,21-23H,7H2,1-2H3,(H,19,25)(H,20,24)/t8-,9?,12+,13+,14+,15+,18+/m0/s1
InChIKeySONKDSVDJMOIRF-DEKNXZFASA-N
XLogP-1.17
TPSA146.58 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 5-1.17
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze N-[(2S)-1-[[(4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]amino]-1-oxopropan-2-yl]-2-hydroxybenzamide with MolForge

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Related Compounds

2-methyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxine-6,7-diol
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N-[1-(ethylamino)-1-oxopropan-2-yl]-2-methylbenzamide
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2-hydroxy-N-(1-oxopropan-2-yl)benzamide
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[(4aR,6S,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl] 2,2-dichloroacetate
CID 174900465
2,3-dichloro-N-[1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]benzamide
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N-[1-(ethylamino)-1-oxopropan-2-yl]-2-hydroxy-3-methylbenzamide
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2-bromo-N-[1-(cyclopropylamino)-1-oxopropan-2-yl]furan-3-carboxamide
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2-chloro-N-[1-(cyclopropylamino)-1-oxopropan-2-yl]furan-3-carboxamide
CID 106687186

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[(4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]amino]-1-oxopropan-2-yl]-2-hydroxybenzamide?
The IUPAC name of N-[(2S)-1-[[(4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]amino]-1-oxopropan-2-yl]-2-hydroxybenzamide (CID 102308060) is N-[(2S)-1-[[(4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]amino]-1-oxopropan-2-yl]-2-hydroxybenzamide.
What is the SMILES notation for N-[(2S)-1-[[(4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]amino]-1-oxopropan-2-yl]-2-hydroxybenzamide?
The canonical SMILES for N-[(2S)-1-[[(4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]amino]-1-oxopropan-2-yl]-2-hydroxybenzamide is CC1OC[C@H]2O[C@@H](NC(=O)[C@H](C)NC(=O)c3ccccc3O)[C@H](O)[C@@H](O)[C@@H]2O1.
What is the InChIKey of N-[(2S)-1-[[(4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]amino]-1-oxopropan-2-yl]-2-hydroxybenzamide?
The InChIKey is SONKDSVDJMOIRF-DEKNXZFASA-N. The full InChI is InChI=1S/C18H24N2O8/c1-8(19-17(25)10-5-3-4-6-11(10)21)16(24)20-18-14(23)13(22)15-12(28-18)7-26-9(2)27-15/h3-6,8-9,12-15,18,21-23H,7H2,1-2H3,(H,19,25)(H,20,24)/t8-,9?,12+,13+,14+,15+,18+/m0/s1.
What are the key properties of N-[(2S)-1-[[(4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]amino]-1-oxopropan-2-yl]-2-hydroxybenzamide?
N-[(2S)-1-[[(4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]amino]-1-oxopropan-2-yl]-2-hydroxybenzamide has a molecular weight of 396.40 g/mol, XLogP of -1.17, 4 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[[(4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]amino]-1-oxopropan-2-yl]-2-hydroxybenzamide is sourced from PubChem (CID 102308060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).