N-[5-hydroxy-2-methoxy-6-(2-methylpropyl)-4-propan-2-yloxan-3-yl]acetamide

C15H29NO4 — CID 176721112

IUPACN-[5-hydroxy-2-methoxy-6-(2-methylpropyl)-4-propan-2-yloxan-3-yl]acetamide
SMILESCOC1OC(CC(C)C)C(O)C(C(C)C)C1NC(C)=O
InChIInChI=1S/C15H29NO4/c1-8(2)7-11-14(18)12(9(3)4)13(16-10(5)17)15(19-6)20-11/h8-9,11-15,18H,7H2,1-6H3,(H,16,17)
InChIKeyHHQRVONIBFBFJO-UHFFFAOYSA-N
MW287.40 g/mol
LogP1.54
Rot. Bonds5

About N-[5-hydroxy-2-methoxy-6-(2-methylpropyl)-4-propan-2-yloxan-3-yl]acetamide

N-[5-hydroxy-2-methoxy-6-(2-methylpropyl)-4-propan-2-yloxan-3-yl]acetamide (PubChem CID 176721112) has the molecular formula C15H29NO4 and a molecular weight of 287.40 g/mol. Its IUPAC name is N-[5-hydroxy-2-methoxy-6-(2-methylpropyl)-4-propan-2-yloxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[5-hydroxy-2-methoxy-6-(2-methylpropyl)-4-propan-2-yloxan-3-yl]acetamide
PubChem CID176721112
Molecular FormulaC15H29NO4
Molecular Weight287.40 g/mol
Exact Mass287.21
IUPAC NameN-[5-hydroxy-2-methoxy-6-(2-methylpropyl)-4-propan-2-yloxan-3-yl]acetamide
SMILESCOC1OC(CC(C)C)C(O)C(C(C)C)C1NC(C)=O
InChIInChI=1S/C15H29NO4/c1-8(2)7-11-14(18)12(9(3)4)13(16-10(5)17)15(19-6)20-11/h8-9,11-15,18H,7H2,1-6H3,(H,16,17)
InChIKeyHHQRVONIBFBFJO-UHFFFAOYSA-N
XLogP1.54
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[5-hydroxy-2-methoxy-6-(2-methylpropyl)-4-propan-2-yloxan-3-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]acetamide
CID 70905078
N-[(2S,3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxy(213C)oxan-3-yl]acetamide
CID 11608397
N-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxy(213C)oxan-3-yl]acetamide
CID 11687336
N-[(2S,3R,4R,5S,6S)-6-(chloromethyl)-4,5-dihydroxy-2-methoxyoxan-3-yl]acetamide
CID 118225455
N-[(3S,4S,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]acetamide
CID 130460609
N-[(2S,3R,4S,5S,6S)-5-hydroxy-2,4-dimethoxy-6-(methoxymethyl)oxan-3-yl]acetamide
CID 11891134
N-[(2R,3S,4R,5R,6R)-2-[[(2R,3S,4R,5S,6S)-5-acetamido-3,4-dihydroxy-6-methoxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 67879085
N-[4,5-dihydroxy-6-(hydroxymethyl)-2-(2-methylpropyl)oxan-3-yl]acetamide
CID 148766556
(2R,3R,4R,5R,6R)-5-acetamido-3,4-dihydroxy-6-methoxyoxane-2-carboxylic acid
CID 101001386
N-[5-hydroxy-6-(hydroxymethyl)-2-methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
CID 3660162
2-(hydroxymethyl)-6-methoxy-5-propan-2-yloxane-3,4-diol
CID 134313664
N-[(2R,4R,5S)-4-hydroxy-6-(hydroxymethyl)-2-methoxy-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
CID 84973162

Frequently Asked Questions

What is the IUPAC name of N-[5-hydroxy-2-methoxy-6-(2-methylpropyl)-4-propan-2-yloxan-3-yl]acetamide?
The IUPAC name of N-[5-hydroxy-2-methoxy-6-(2-methylpropyl)-4-propan-2-yloxan-3-yl]acetamide (CID 176721112) is N-[5-hydroxy-2-methoxy-6-(2-methylpropyl)-4-propan-2-yloxan-3-yl]acetamide.
What is the SMILES notation for N-[5-hydroxy-2-methoxy-6-(2-methylpropyl)-4-propan-2-yloxan-3-yl]acetamide?
The canonical SMILES for N-[5-hydroxy-2-methoxy-6-(2-methylpropyl)-4-propan-2-yloxan-3-yl]acetamide is COC1OC(CC(C)C)C(O)C(C(C)C)C1NC(C)=O.
What is the InChIKey of N-[5-hydroxy-2-methoxy-6-(2-methylpropyl)-4-propan-2-yloxan-3-yl]acetamide?
The InChIKey is HHQRVONIBFBFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO4/c1-8(2)7-11-14(18)12(9(3)4)13(16-10(5)17)15(19-6)20-11/h8-9,11-15,18H,7H2,1-6H3,(H,16,17).
What are the key properties of N-[5-hydroxy-2-methoxy-6-(2-methylpropyl)-4-propan-2-yloxan-3-yl]acetamide?
N-[5-hydroxy-2-methoxy-6-(2-methylpropyl)-4-propan-2-yloxan-3-yl]acetamide has a molecular weight of 287.40 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-hydroxy-2-methoxy-6-(2-methylpropyl)-4-propan-2-yloxan-3-yl]acetamide is sourced from PubChem (CID 176721112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).