N-[4-hydroxy-6-(hydroxymethyl)-5-(3-methylpentan-3-yl)-2-(3-methylpentan-3-yloxy)oxan-3-yl]acetamide

C20H39NO5 — CID 174250597

IUPACN-[4-hydroxy-6-(hydroxymethyl)-5-(3-methylpentan-3-yl)-2-(3-methylpentan-3-yloxy)oxan-3-yl]acetamide
SMILESCCC(C)(CC)OC1OC(CO)C(C(C)(CC)CC)C(O)C1NC(C)=O
InChIInChI=1S/C20H39NO5/c1-8-19(6,9-2)15-14(12-22)25-18(26-20(7,10-3)11-4)16(17(15)24)21-13(5)23/h14-18,22,24H,8-12H2,1-7H3,(H,21,23)
InChIKeyNVVZPTGCHNREIA-UHFFFAOYSA-N
MW373.53 g/mol
LogP2.61
Rot. Bonds9

About N-[4-hydroxy-6-(hydroxymethyl)-5-(3-methylpentan-3-yl)-2-(3-methylpentan-3-yloxy)oxan-3-yl]acetamide

N-[4-hydroxy-6-(hydroxymethyl)-5-(3-methylpentan-3-yl)-2-(3-methylpentan-3-yloxy)oxan-3-yl]acetamide (PubChem CID 174250597) has the molecular formula C20H39NO5 and a molecular weight of 373.53 g/mol. Its IUPAC name is N-[4-hydroxy-6-(hydroxymethyl)-5-(3-methylpentan-3-yl)-2-(3-methylpentan-3-yloxy)oxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[4-hydroxy-6-(hydroxymethyl)-5-(3-methylpentan-3-yl)-2-(3-methylpentan-3-yloxy)oxan-3-yl]acetamide
PubChem CID174250597
Molecular FormulaC20H39NO5
Molecular Weight373.53 g/mol
Exact Mass373.28
IUPAC NameN-[4-hydroxy-6-(hydroxymethyl)-5-(3-methylpentan-3-yl)-2-(3-methylpentan-3-yloxy)oxan-3-yl]acetamide
SMILESCCC(C)(CC)OC1OC(CO)C(C(C)(CC)CC)C(O)C1NC(C)=O
InChIInChI=1S/C20H39NO5/c1-8-19(6,9-2)15-14(12-22)25-18(26-20(7,10-3)11-4)16(17(15)24)21-13(5)23/h14-18,22,24H,8-12H2,1-7H3,(H,21,23)
InChIKeyNVVZPTGCHNREIA-UHFFFAOYSA-N
XLogP2.61
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.53
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[5-acetamido-2-(hydroxymethyl)-6-(3-methylpentan-3-yl)-4-oxooxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-(3-methylpentan-3-yloxy)oxan-3-yl]acetamide
CID 123738140
N-[(2S,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2-methylpropan-2-yl)oxy]oxan-3-yl]acetamide
CID 148990627
N-[(2R,3R,4R,5S,6R)-2-ethoxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 7573789
N-[(2R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]acetamide
CID 70905078
N-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxy(213C)oxan-3-yl]acetamide
CID 11687336
N-[(2S,3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxy(213C)oxan-3-yl]acetamide
CID 11608397
N-[(2S,3R,4S,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-2-propan-2-yloxyoxan-3-yl]acetamide
CID 7659071
N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-propan-2-yloxyoxan-3-yl]acetamide
CID 7573802
N-[(2S,3S,4S,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-2-propan-2-yloxyoxan-3-yl]acetamide
CID 7659073
N-[(2R,3S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-propoxyoxan-3-yl]acetamide
CID 118054664
(2S,3R)-3-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-aminobutanoic acid
CID 10914240
(2S,3R)-3-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-aminobutanoic acid
CID 101084997

Frequently Asked Questions

What is the IUPAC name of N-[4-hydroxy-6-(hydroxymethyl)-5-(3-methylpentan-3-yl)-2-(3-methylpentan-3-yloxy)oxan-3-yl]acetamide?
The IUPAC name of N-[4-hydroxy-6-(hydroxymethyl)-5-(3-methylpentan-3-yl)-2-(3-methylpentan-3-yloxy)oxan-3-yl]acetamide (CID 174250597) is N-[4-hydroxy-6-(hydroxymethyl)-5-(3-methylpentan-3-yl)-2-(3-methylpentan-3-yloxy)oxan-3-yl]acetamide.
What is the SMILES notation for N-[4-hydroxy-6-(hydroxymethyl)-5-(3-methylpentan-3-yl)-2-(3-methylpentan-3-yloxy)oxan-3-yl]acetamide?
The canonical SMILES for N-[4-hydroxy-6-(hydroxymethyl)-5-(3-methylpentan-3-yl)-2-(3-methylpentan-3-yloxy)oxan-3-yl]acetamide is CCC(C)(CC)OC1OC(CO)C(C(C)(CC)CC)C(O)C1NC(C)=O.
What is the InChIKey of N-[4-hydroxy-6-(hydroxymethyl)-5-(3-methylpentan-3-yl)-2-(3-methylpentan-3-yloxy)oxan-3-yl]acetamide?
The InChIKey is NVVZPTGCHNREIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39NO5/c1-8-19(6,9-2)15-14(12-22)25-18(26-20(7,10-3)11-4)16(17(15)24)21-13(5)23/h14-18,22,24H,8-12H2,1-7H3,(H,21,23).
What are the key properties of N-[4-hydroxy-6-(hydroxymethyl)-5-(3-methylpentan-3-yl)-2-(3-methylpentan-3-yloxy)oxan-3-yl]acetamide?
N-[4-hydroxy-6-(hydroxymethyl)-5-(3-methylpentan-3-yl)-2-(3-methylpentan-3-yloxy)oxan-3-yl]acetamide has a molecular weight of 373.53 g/mol, XLogP of 2.61, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-hydroxy-6-(hydroxymethyl)-5-(3-methylpentan-3-yl)-2-(3-methylpentan-3-yloxy)oxan-3-yl]acetamide is sourced from PubChem (CID 174250597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).