N-[(2R,4R,6S)-2-cyclohexyl-6-[4-(1,2,4-triazol-1-yl)phenyl]oxan-4-yl]acetamide

C21H28N4O2 — CID 50979481

IUPACN-[(2R,4R,6S)-2-cyclohexyl-6-[4-(1,2,4-triazol-1-yl)phenyl]oxan-4-yl]acetamide
SMILESCC(=O)N[C@H]1C[C@@H](c2ccc(-n3cncn3)cc2)O[C@@H](C2CCCCC2)C1
InChIInChI=1S/C21H28N4O2/c1-15(26)24-18-11-20(16-5-3-2-4-6-16)27-21(12-18)17-7-9-19(10-8-17)25-14-22-13-23-25/h7-10,13-14,16,18,20-21H,2-6,11-12H2,1H3,(H,24,26)/t18-,20-,21+/m1/s1
InChIKeyLCKUVCVAPIWLJS-NRSPTQNISA-N
MW368.48 g/mol
LogP3.57
Rot. Bonds4

About N-[(2R,4R,6S)-2-cyclohexyl-6-[4-(1,2,4-triazol-1-yl)phenyl]oxan-4-yl]acetamide

N-[(2R,4R,6S)-2-cyclohexyl-6-[4-(1,2,4-triazol-1-yl)phenyl]oxan-4-yl]acetamide (PubChem CID 50979481) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[(2R,4R,6S)-2-cyclohexyl-6-[4-(1,2,4-triazol-1-yl)phenyl]oxan-4-yl]acetamide.

Molecular Properties

Compound NameN-[(2R,4R,6S)-2-cyclohexyl-6-[4-(1,2,4-triazol-1-yl)phenyl]oxan-4-yl]acetamide
PubChem CID50979481
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC NameN-[(2R,4R,6S)-2-cyclohexyl-6-[4-(1,2,4-triazol-1-yl)phenyl]oxan-4-yl]acetamide
SMILESCC(=O)N[C@H]1C[C@@H](c2ccc(-n3cncn3)cc2)O[C@@H](C2CCCCC2)C1
InChIInChI=1S/C21H28N4O2/c1-15(26)24-18-11-20(16-5-3-2-4-6-16)27-21(12-18)17-7-9-19(10-8-17)25-14-22-13-23-25/h7-10,13-14,16,18,20-21H,2-6,11-12H2,1H3,(H,24,26)/t18-,20-,21+/m1/s1
InChIKeyLCKUVCVAPIWLJS-NRSPTQNISA-N
XLogP3.57
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2R,4R,6S)-2-cyclohexyl-6-[4-(1,2,4-triazol-1-yl)phenyl]oxan-4-yl]acetamide with MolForge

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Related Compounds

N-[(2R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-(1,2,4-triazol-1-yl)benzamide
CID 124743149
N-[(2R,4R,6S)-2-cyclohexyl-6-[2-(propylamino)pyrimidin-5-yl]oxan-4-yl]acetamide
CID 50972806
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CID 99625310
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CID 54862655
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[(2S)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 4-(1,2,4-triazol-1-yl)benzoate
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N-[(2R,6S)-2,6-bis(4-fluorophenyl)oxan-4-yl]acetamide
CID 25098820
4-cyclohexyl-N-[4-(1,2,4-triazol-1-yl)phenyl]benzenesulfonamide
CID 25499358
(2R)-2-[[(2R,6R)-2,6-dimethyloxan-4-yl]amino]-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide
CID 98876209
(2S)-3-cyclohexyl-2-hydroxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[(2R,4R,6S)-2-cyclohexyl-6-[4-(1,2,4-triazol-1-yl)phenyl]oxan-4-yl]acetamide?
The IUPAC name of N-[(2R,4R,6S)-2-cyclohexyl-6-[4-(1,2,4-triazol-1-yl)phenyl]oxan-4-yl]acetamide (CID 50979481) is N-[(2R,4R,6S)-2-cyclohexyl-6-[4-(1,2,4-triazol-1-yl)phenyl]oxan-4-yl]acetamide.
What is the SMILES notation for N-[(2R,4R,6S)-2-cyclohexyl-6-[4-(1,2,4-triazol-1-yl)phenyl]oxan-4-yl]acetamide?
The canonical SMILES for N-[(2R,4R,6S)-2-cyclohexyl-6-[4-(1,2,4-triazol-1-yl)phenyl]oxan-4-yl]acetamide is CC(=O)N[C@H]1C[C@@H](c2ccc(-n3cncn3)cc2)O[C@@H](C2CCCCC2)C1.
What is the InChIKey of N-[(2R,4R,6S)-2-cyclohexyl-6-[4-(1,2,4-triazol-1-yl)phenyl]oxan-4-yl]acetamide?
The InChIKey is LCKUVCVAPIWLJS-NRSPTQNISA-N. The full InChI is InChI=1S/C21H28N4O2/c1-15(26)24-18-11-20(16-5-3-2-4-6-16)27-21(12-18)17-7-9-19(10-8-17)25-14-22-13-23-25/h7-10,13-14,16,18,20-21H,2-6,11-12H2,1H3,(H,24,26)/t18-,20-,21+/m1/s1.
What are the key properties of N-[(2R,4R,6S)-2-cyclohexyl-6-[4-(1,2,4-triazol-1-yl)phenyl]oxan-4-yl]acetamide?
N-[(2R,4R,6S)-2-cyclohexyl-6-[4-(1,2,4-triazol-1-yl)phenyl]oxan-4-yl]acetamide has a molecular weight of 368.48 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,4R,6S)-2-cyclohexyl-6-[4-(1,2,4-triazol-1-yl)phenyl]oxan-4-yl]acetamide is sourced from PubChem (CID 50979481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).