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

C17H31N3O2 — CID 95352587

IUPACN-(cyclohexen-1-yl)-2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-N-ethylacetamide
SMILESCCN(C(=O)CN1CCO[C@@H](CN(C)C)C1)C1=CCCCC1
InChIInChI=1S/C17H31N3O2/c1-4-20(15-8-6-5-7-9-15)17(21)14-19-10-11-22-16(13-19)12-18(2)3/h8,16H,4-7,9-14H2,1-3H3/t16-/m0/s1
InChIKeyLLXOPLJPORLXRW-INIZCTEOSA-N
MW309.45 g/mol
LogP1.56
Rot. Bonds6

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

N-(cyclohexen-1-yl)-2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-N-ethylacetamide (PubChem CID 95352587) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is N-(cyclohexen-1-yl)-2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-N-ethylacetamide.

Molecular Properties

Compound NameN-(cyclohexen-1-yl)-2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-N-ethylacetamide
PubChem CID95352587
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC NameN-(cyclohexen-1-yl)-2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-N-ethylacetamide
SMILESCCN(C(=O)CN1CCO[C@@H](CN(C)C)C1)C1=CCCCC1
InChIInChI=1S/C17H31N3O2/c1-4-20(15-8-6-5-7-9-15)17(21)14-19-10-11-22-16(13-19)12-18(2)3/h8,16H,4-7,9-14H2,1-3H3/t16-/m0/s1
InChIKeyLLXOPLJPORLXRW-INIZCTEOSA-N
XLogP1.56
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 53531645
N-(cyclohexen-1-yl)-2-[4-(2-hydroxypropyl)piperazin-1-yl]-N-propylacetamide
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N-(cyclohexen-1-yl)-N-ethyl-2-[4-(2-hydroxypropyl)piperazin-1-yl]acetamide
CID 53619834
N-(cyclohexen-1-yl)-2-[(4-methylmorpholin-2-yl)methylamino]-N-propylacetamide
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N-(cyclohexen-1-yl)-N-cyclopropyl-2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]acetamide
CID 56802886
1-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethane-1,2-dione
CID 66794455
N-(cyclohexen-1-yl)-2-(2,2-dimethylmorpholin-4-yl)acetamide
CID 70869418
N-(cyclohexen-1-yl)-N-(2-methoxyethyl)-2-(3-oxopiperazin-1-ium-1-yl)acetamide
CID 8709819
N-(cyclohexen-1-yl)-N-(2-methoxyethyl)-2-(3-oxopiperazin-1-yl)acetamide
CID 8709820
N-(cyclohexen-1-yl)-N-ethyl-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide
CID 52309279
N-(cyclohexen-1-yl)-N-ethyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
CID 52309312
N-(cyclohexen-1-yl)-N-cyclopropyl-2-[4-(2-methoxyethyl)piperazin-1-yl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexen-1-yl)-2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-N-ethylacetamide?
The IUPAC name of N-(cyclohexen-1-yl)-2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-N-ethylacetamide (CID 95352587) is N-(cyclohexen-1-yl)-2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-N-ethylacetamide.
What is the SMILES notation for N-(cyclohexen-1-yl)-2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-N-ethylacetamide?
The canonical SMILES for N-(cyclohexen-1-yl)-2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-N-ethylacetamide is CCN(C(=O)CN1CCO[C@@H](CN(C)C)C1)C1=CCCCC1.
What is the InChIKey of N-(cyclohexen-1-yl)-2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-N-ethylacetamide?
The InChIKey is LLXOPLJPORLXRW-INIZCTEOSA-N. The full InChI is InChI=1S/C17H31N3O2/c1-4-20(15-8-6-5-7-9-15)17(21)14-19-10-11-22-16(13-19)12-18(2)3/h8,16H,4-7,9-14H2,1-3H3/t16-/m0/s1.
What are the key properties of N-(cyclohexen-1-yl)-2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-N-ethylacetamide?
N-(cyclohexen-1-yl)-2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-N-ethylacetamide has a molecular weight of 309.45 g/mol, XLogP of 1.56, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexen-1-yl)-2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-N-ethylacetamide is sourced from PubChem (CID 95352587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).