N-[2-(cyclohexen-1-yl)ethyl]-2-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]acetamide

C18H29N5O2 — CID 96996969

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]acetamide
SMILESCCc1nc([C@H]2CN(CC(=O)NCCC3=CCCCC3)CCO2)n[nH]1
InChIInChI=1S/C18H29N5O2/c1-2-16-20-18(22-21-16)15-12-23(10-11-25-15)13-17(24)19-9-8-14-6-4-3-5-7-14/h6,15H,2-5,7-13H2,1H3,(H,19,24)(H,20,21,22)/t15-/m1/s1
InChIKeyBAUBXODUGSHHFA-OAHLLOKOSA-N
MW347.46 g/mol
LogP1.75
Rot. Bonds7

About N-[2-(cyclohexen-1-yl)ethyl]-2-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]acetamide

N-[2-(cyclohexen-1-yl)ethyl]-2-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]acetamide (PubChem CID 96996969) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]acetamide
PubChem CID96996969
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]acetamide
SMILESCCc1nc([C@H]2CN(CC(=O)NCCC3=CCCCC3)CCO2)n[nH]1
InChIInChI=1S/C18H29N5O2/c1-2-16-20-18(22-21-16)15-12-23(10-11-25-15)13-17(24)19-9-8-14-6-4-3-5-7-14/h6,15H,2-5,7-13H2,1H3,(H,19,24)(H,20,21,22)/t15-/m1/s1
InChIKeyBAUBXODUGSHHFA-OAHLLOKOSA-N
XLogP1.75
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-[(5-methylthiophen-2-yl)methyl]acetamide
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[3-(4-ethylmorpholin-2-yl)-1H-1,2,4-triazol-5-yl]methanol
CID 79669524
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CID 17148751
N-[2-(cyclohexen-1-yl)ethyl]-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 95327157
N-[2-(cyclohexen-1-yl)ethyl]-2-(3-oxopiperazin-1-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]acetamide (CID 96996969) is N-[2-(cyclohexen-1-yl)ethyl]-2-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]acetamide is CCc1nc([C@H]2CN(CC(=O)NCCC3=CCCCC3)CCO2)n[nH]1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]acetamide?
The InChIKey is BAUBXODUGSHHFA-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-2-16-20-18(22-21-16)15-12-23(10-11-25-15)13-17(24)19-9-8-14-6-4-3-5-7-14/h6,15H,2-5,7-13H2,1H3,(H,19,24)(H,20,21,22)/t15-/m1/s1.
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]acetamide has a molecular weight of 347.46 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]acetamide is sourced from PubChem (CID 96996969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).