N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-(4-propyltriazol-1-yl)ethyl]oxan-3-yl]cyclohexanecarboxamide

C20H34N4O3 — CID 54640799

IUPACN-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-(4-propyltriazol-1-yl)ethyl]oxan-3-yl]cyclohexanecarboxamide
SMILESCCCc1cn(CC[C@H]2CC[C@@H](NC(=O)C3CCCCC3)[C@H](CO)O2)nn1
InChIInChI=1S/C20H34N4O3/c1-2-6-16-13-24(23-22-16)12-11-17-9-10-18(19(14-25)27-17)21-20(26)15-7-4-3-5-8-15/h13,15,17-19,25H,2-12,14H2,1H3,(H,21,26)/t17-,18-,19+/m1/s1
InChIKeyGHLUFTIHFDMMKJ-QRVBRYPASA-N
MW378.52 g/mol
LogP2.23
Rot. Bonds8

About N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-(4-propyltriazol-1-yl)ethyl]oxan-3-yl]cyclohexanecarboxamide

N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-(4-propyltriazol-1-yl)ethyl]oxan-3-yl]cyclohexanecarboxamide (PubChem CID 54640799) has the molecular formula C20H34N4O3 and a molecular weight of 378.52 g/mol. Its IUPAC name is N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-(4-propyltriazol-1-yl)ethyl]oxan-3-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-(4-propyltriazol-1-yl)ethyl]oxan-3-yl]cyclohexanecarboxamide
PubChem CID54640799
Molecular FormulaC20H34N4O3
Molecular Weight378.52 g/mol
Exact Mass378.26
IUPAC NameN-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-(4-propyltriazol-1-yl)ethyl]oxan-3-yl]cyclohexanecarboxamide
SMILESCCCc1cn(CC[C@H]2CC[C@@H](NC(=O)C3CCCCC3)[C@H](CO)O2)nn1
InChIInChI=1S/C20H34N4O3/c1-2-6-16-13-24(23-22-16)12-11-17-9-10-18(19(14-25)27-17)21-20(26)15-7-4-3-5-8-15/h13,15,17-19,25H,2-12,14H2,1H3,(H,21,26)/t17-,18-,19+/m1/s1
InChIKeyGHLUFTIHFDMMKJ-QRVBRYPASA-N
XLogP2.23
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-(4-propyltriazol-1-yl)ethyl]oxan-3-yl]cyclobutanecarboxamide
CID 54645259
N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-(4-propyltriazol-1-yl)ethyl]oxan-3-yl]cyclobutanecarboxamide
CID 54645262
N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-(4-propyltriazol-1-yl)ethyl]oxan-3-yl]oxane-4-carboxamide
CID 54643857
N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-[4-(2-methoxyphenyl)triazol-1-yl]ethyl]oxan-3-yl]cyclohexanecarboxamide
CID 54644228
1-[(2R,3S,6S)-6-[2-(4-cyclohexyltriazol-1-yl)ethyl]-2-(hydroxymethyl)oxan-3-yl]-3-propylurea
CID 54645791
N-[(2S,3R,6S)-6-[2-[4-(1-hydroxycyclopentyl)triazol-1-yl]ethyl]-2-(hydroxymethyl)oxan-3-yl]cyclopropanecarboxamide
CID 54645454
N-[(2R,3R,6R)-6-[2-[4-(1-hydroxycyclopentyl)triazol-1-yl]ethyl]-2-(hydroxymethyl)oxan-3-yl]cyclopropanecarboxamide
CID 54645457
N-[(2R,3S,6R)-6-[2-[4-(1-hydroxycyclopentyl)triazol-1-yl]ethyl]-2-(hydroxymethyl)oxan-3-yl]cyclopropanecarboxamide
CID 54645455
1-(1,3-benzodioxol-5-yl)-3-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-(4-propyltriazol-1-yl)ethyl]oxan-3-yl]urea
CID 54642454
2-chloro-N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-(4-propyltriazol-1-yl)ethyl]oxan-3-yl]benzenesulfonamide
CID 54640150
2-(dimethylamino)-N-[(2R,3R,6R)-6-[2-[4-[(dimethylamino)methyl]triazol-1-yl]ethyl]-2-(hydroxymethyl)oxan-3-yl]acetamide
CID 54644204
N-[(2R,3S,6R)-6-[2-(4-cyclohexyltriazol-1-yl)ethyl]-2-(hydroxymethyl)oxan-3-yl]-2-(dimethylamino)acetamide
CID 54645748

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-(4-propyltriazol-1-yl)ethyl]oxan-3-yl]cyclohexanecarboxamide?
The IUPAC name of N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-(4-propyltriazol-1-yl)ethyl]oxan-3-yl]cyclohexanecarboxamide (CID 54640799) is N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-(4-propyltriazol-1-yl)ethyl]oxan-3-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-(4-propyltriazol-1-yl)ethyl]oxan-3-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-(4-propyltriazol-1-yl)ethyl]oxan-3-yl]cyclohexanecarboxamide is CCCc1cn(CC[C@H]2CC[C@@H](NC(=O)C3CCCCC3)[C@H](CO)O2)nn1.
What is the InChIKey of N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-(4-propyltriazol-1-yl)ethyl]oxan-3-yl]cyclohexanecarboxamide?
The InChIKey is GHLUFTIHFDMMKJ-QRVBRYPASA-N. The full InChI is InChI=1S/C20H34N4O3/c1-2-6-16-13-24(23-22-16)12-11-17-9-10-18(19(14-25)27-17)21-20(26)15-7-4-3-5-8-15/h13,15,17-19,25H,2-12,14H2,1H3,(H,21,26)/t17-,18-,19+/m1/s1.
What are the key properties of N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-(4-propyltriazol-1-yl)ethyl]oxan-3-yl]cyclohexanecarboxamide?
N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-(4-propyltriazol-1-yl)ethyl]oxan-3-yl]cyclohexanecarboxamide has a molecular weight of 378.52 g/mol, XLogP of 2.23, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-(4-propyltriazol-1-yl)ethyl]oxan-3-yl]cyclohexanecarboxamide is sourced from PubChem (CID 54640799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).