3-hydroxy-N-[(1S,2R)-2-[4-(2-hydroxypropan-2-yl)triazol-1-yl]cyclohexyl]-4-methylpentanamide

C17H30N4O3 — CID 128965162

IUPAC3-hydroxy-N-[(1S,2R)-2-[4-(2-hydroxypropan-2-yl)triazol-1-yl]cyclohexyl]-4-methylpentanamide
SMILESCC(C)C(O)CC(=O)N[C@H]1CCCC[C@H]1n1cc(C(C)(C)O)nn1
InChIInChI=1S/C17H30N4O3/c1-11(2)14(22)9-16(23)18-12-7-5-6-8-13(12)21-10-15(19-20-21)17(3,4)24/h10-14,22,24H,5-9H2,1-4H3,(H,18,23)/t12-,13+,14?/m0/s1
InChIKeyVMOGHBHZNKKMSV-WLDKUNSKSA-N
MW338.45 g/mol
LogP1.51
Rot. Bonds6

About 3-hydroxy-N-[(1S,2R)-2-[4-(2-hydroxypropan-2-yl)triazol-1-yl]cyclohexyl]-4-methylpentanamide

3-hydroxy-N-[(1S,2R)-2-[4-(2-hydroxypropan-2-yl)triazol-1-yl]cyclohexyl]-4-methylpentanamide (PubChem CID 128965162) has the molecular formula C17H30N4O3 and a molecular weight of 338.45 g/mol. Its IUPAC name is 3-hydroxy-N-[(1S,2R)-2-[4-(2-hydroxypropan-2-yl)triazol-1-yl]cyclohexyl]-4-methylpentanamide.

Molecular Properties

Compound Name3-hydroxy-N-[(1S,2R)-2-[4-(2-hydroxypropan-2-yl)triazol-1-yl]cyclohexyl]-4-methylpentanamide
PubChem CID128965162
Molecular FormulaC17H30N4O3
Molecular Weight338.45 g/mol
Exact Mass338.23
IUPAC Name3-hydroxy-N-[(1S,2R)-2-[4-(2-hydroxypropan-2-yl)triazol-1-yl]cyclohexyl]-4-methylpentanamide
SMILESCC(C)C(O)CC(=O)N[C@H]1CCCC[C@H]1n1cc(C(C)(C)O)nn1
InChIInChI=1S/C17H30N4O3/c1-11(2)14(22)9-16(23)18-12-7-5-6-8-13(12)21-10-15(19-20-21)17(3,4)24/h10-14,22,24H,5-9H2,1-4H3,(H,18,23)/t12-,13+,14?/m0/s1
InChIKeyVMOGHBHZNKKMSV-WLDKUNSKSA-N
XLogP1.51
TPSA100.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[(1S,2R)-2-[4-(2-hydroxypropan-2-yl)triazol-1-yl]cyclohexyl]-4-methylpentanamide?
The IUPAC name of 3-hydroxy-N-[(1S,2R)-2-[4-(2-hydroxypropan-2-yl)triazol-1-yl]cyclohexyl]-4-methylpentanamide (CID 128965162) is 3-hydroxy-N-[(1S,2R)-2-[4-(2-hydroxypropan-2-yl)triazol-1-yl]cyclohexyl]-4-methylpentanamide.
What is the SMILES notation for 3-hydroxy-N-[(1S,2R)-2-[4-(2-hydroxypropan-2-yl)triazol-1-yl]cyclohexyl]-4-methylpentanamide?
The canonical SMILES for 3-hydroxy-N-[(1S,2R)-2-[4-(2-hydroxypropan-2-yl)triazol-1-yl]cyclohexyl]-4-methylpentanamide is CC(C)C(O)CC(=O)N[C@H]1CCCC[C@H]1n1cc(C(C)(C)O)nn1.
What is the InChIKey of 3-hydroxy-N-[(1S,2R)-2-[4-(2-hydroxypropan-2-yl)triazol-1-yl]cyclohexyl]-4-methylpentanamide?
The InChIKey is VMOGHBHZNKKMSV-WLDKUNSKSA-N. The full InChI is InChI=1S/C17H30N4O3/c1-11(2)14(22)9-16(23)18-12-7-5-6-8-13(12)21-10-15(19-20-21)17(3,4)24/h10-14,22,24H,5-9H2,1-4H3,(H,18,23)/t12-,13+,14?/m0/s1.
What are the key properties of 3-hydroxy-N-[(1S,2R)-2-[4-(2-hydroxypropan-2-yl)triazol-1-yl]cyclohexyl]-4-methylpentanamide?
3-hydroxy-N-[(1S,2R)-2-[4-(2-hydroxypropan-2-yl)triazol-1-yl]cyclohexyl]-4-methylpentanamide has a molecular weight of 338.45 g/mol, XLogP of 1.51, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[(1S,2R)-2-[4-(2-hydroxypropan-2-yl)triazol-1-yl]cyclohexyl]-4-methylpentanamide is sourced from PubChem (CID 128965162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).