N-[4-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methylamino]cyclohexyl]acetamide

C18H30N4O2 — CID 128976188

IUPACN-[4-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methylamino]cyclohexyl]acetamide
SMILESCCn1nccc1[C@@H]1OCC[C@H]1CNC1CCC(NC(C)=O)CC1
InChIInChI=1S/C18H30N4O2/c1-3-22-17(8-10-20-22)18-14(9-11-24-18)12-19-15-4-6-16(7-5-15)21-13(2)23/h8,10,14-16,18-19H,3-7,9,11-12H2,1-2H3,(H,21,23)/t14-,15?,16?,18+/m0/s1
InChIKeyHFXMDHHSOUAJGC-MMIPBJDJSA-N
MW334.46 g/mol
LogP2.02
Rot. Bonds6

About N-[4-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methylamino]cyclohexyl]acetamide

N-[4-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methylamino]cyclohexyl]acetamide (PubChem CID 128976188) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is N-[4-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methylamino]cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methylamino]cyclohexyl]acetamide
PubChem CID128976188
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC NameN-[4-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methylamino]cyclohexyl]acetamide
SMILESCCn1nccc1[C@@H]1OCC[C@H]1CNC1CCC(NC(C)=O)CC1
InChIInChI=1S/C18H30N4O2/c1-3-22-17(8-10-20-22)18-14(9-11-24-18)12-19-15-4-6-16(7-5-15)21-13(2)23/h8,10,14-16,18-19H,3-7,9,11-12H2,1-2H3,(H,21,23)/t14-,15?,16?,18+/m0/s1
InChIKeyHFXMDHHSOUAJGC-MMIPBJDJSA-N
XLogP2.02
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methylamino]cyclohexyl]acetamide?
The IUPAC name of N-[4-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methylamino]cyclohexyl]acetamide (CID 128976188) is N-[4-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methylamino]cyclohexyl]acetamide.
What is the SMILES notation for N-[4-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methylamino]cyclohexyl]acetamide?
The canonical SMILES for N-[4-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methylamino]cyclohexyl]acetamide is CCn1nccc1[C@@H]1OCC[C@H]1CNC1CCC(NC(C)=O)CC1.
What is the InChIKey of N-[4-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methylamino]cyclohexyl]acetamide?
The InChIKey is HFXMDHHSOUAJGC-MMIPBJDJSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-3-22-17(8-10-20-22)18-14(9-11-24-18)12-19-15-4-6-16(7-5-15)21-13(2)23/h8,10,14-16,18-19H,3-7,9,11-12H2,1-2H3,(H,21,23)/t14-,15?,16?,18+/m0/s1.
What are the key properties of N-[4-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methylamino]cyclohexyl]acetamide?
N-[4-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methylamino]cyclohexyl]acetamide has a molecular weight of 334.46 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methylamino]cyclohexyl]acetamide is sourced from PubChem (CID 128976188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).