N-[2-(cyclohexen-1-yl)ethyl]-2-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]acetamide

C18H28N4O2 — CID 95276948

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]acetamide
SMILESO=C(CN1CCO[C@H](Cn2cccn2)C1)NCCC1=CCCCC1
InChIInChI=1S/C18H28N4O2/c23-18(19-9-7-16-5-2-1-3-6-16)15-21-11-12-24-17(13-21)14-22-10-4-8-20-22/h4-5,8,10,17H,1-3,6-7,9,11-15H2,(H,19,23)/t17-/m0/s1
InChIKeyLZXGXQIADUWFHD-KRWDZBQOSA-N
MW332.45 g/mol
LogP1.59
Rot. Bonds7

About N-[2-(cyclohexen-1-yl)ethyl]-2-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]acetamide

N-[2-(cyclohexen-1-yl)ethyl]-2-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]acetamide (PubChem CID 95276948) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]acetamide
PubChem CID95276948
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]acetamide
SMILESO=C(CN1CCO[C@H](Cn2cccn2)C1)NCCC1=CCCCC1
InChIInChI=1S/C18H28N4O2/c23-18(19-9-7-16-5-2-1-3-6-16)15-21-11-12-24-17(13-21)14-22-10-4-8-20-22/h4-5,8,10,17H,1-3,6-7,9,11-15H2,(H,19,23)/t17-/m0/s1
InChIKeyLZXGXQIADUWFHD-KRWDZBQOSA-N
XLogP1.59
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-acetamidoethyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]acetamide
CID 95321575
2-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]-N-(2-thiophen-3-ylethyl)acetamide
CID 95279241
N-[2-(cyclohexen-1-yl)ethyl]-2-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]acetamide
CID 96996969
(2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 126425791
N-[2-(cyclohexen-1-yl)ethyl]-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide
CID 106673045
N-[2-(cyclohexen-1-yl)ethyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide
CID 51970015
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-[4-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-3-methylpiperazin-1-yl]acetamide
CID 55627456
N-[2-(cyclohexen-1-yl)ethyl]-2-(3-formylpiperidin-1-yl)acetamide
CID 62655682
N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide
CID 131924118
N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 63267549
N-[2-(cyclohexen-1-yl)ethyl]-2-(3-oxopiperazin-1-yl)acetamide
CID 8963352

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]acetamide (CID 95276948) is N-[2-(cyclohexen-1-yl)ethyl]-2-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]acetamide is O=C(CN1CCO[C@H](Cn2cccn2)C1)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]acetamide?
The InChIKey is LZXGXQIADUWFHD-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H28N4O2/c23-18(19-9-7-16-5-2-1-3-6-16)15-21-11-12-24-17(13-21)14-22-10-4-8-20-22/h4-5,8,10,17H,1-3,6-7,9,11-15H2,(H,19,23)/t17-/m0/s1.
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]acetamide has a molecular weight of 332.45 g/mol, XLogP of 1.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]acetamide is sourced from PubChem (CID 95276948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).