N-[2-(cyclohexen-1-yl)ethyl]-2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide

C17H31N3O2 — CID 95345326

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide
SMILESCN(C)C[C@H]1CN(CC(=O)NCCC2=CCCCC2)CCO1
InChIInChI=1S/C17H31N3O2/c1-19(2)12-16-13-20(10-11-22-16)14-17(21)18-9-8-15-6-4-3-5-7-15/h6,16H,3-5,7-14H2,1-2H3,(H,18,21)/t16-/m0/s1
InChIKeyKLCCZZVYDSAXFJ-INIZCTEOSA-N
MW309.45 g/mol
LogP1.26
Rot. Bonds7

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

N-[2-(cyclohexen-1-yl)ethyl]-2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide (PubChem CID 95345326) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide
PubChem CID95345326
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide
SMILESCN(C)C[C@H]1CN(CC(=O)NCCC2=CCCCC2)CCO1
InChIInChI=1S/C17H31N3O2/c1-19(2)12-16-13-20(10-11-22-16)14-17(21)18-9-8-15-6-4-3-5-7-15/h6,16H,3-5,7-14H2,1-2H3,(H,18,21)/t16-/m0/s1
InChIKeyKLCCZZVYDSAXFJ-INIZCTEOSA-N
XLogP1.26
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide (CID 95345326) is N-[2-(cyclohexen-1-yl)ethyl]-2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide is CN(C)C[C@H]1CN(CC(=O)NCCC2=CCCCC2)CCO1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide?
The InChIKey is KLCCZZVYDSAXFJ-INIZCTEOSA-N. The full InChI is InChI=1S/C17H31N3O2/c1-19(2)12-16-13-20(10-11-22-16)14-17(21)18-9-8-15-6-4-3-5-7-15/h6,16H,3-5,7-14H2,1-2H3,(H,18,21)/t16-/m0/s1.
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide has a molecular weight of 309.45 g/mol, XLogP of 1.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide is sourced from PubChem (CID 95345326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).