N-[2-(cyclohexen-1-yl)ethyl]-2-(3-morpholin-4-ylpropylamino)acetamide

C17H31N3O2 — CID 3226624

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-(3-morpholin-4-ylpropylamino)acetamide
SMILESO=C(CNCCCN1CCOCC1)NCCC1=CCCCC1
InChIInChI=1S/C17H31N3O2/c21-17(19-9-7-16-5-2-1-3-6-16)15-18-8-4-10-20-11-13-22-14-12-20/h5,18H,1-4,6-15H2,(H,19,21)
InChIKeyASBFWOBOXJAYBQ-UHFFFAOYSA-N
MW309.45 g/mol
LogP1.30
Rot. Bonds9

About N-[2-(cyclohexen-1-yl)ethyl]-2-(3-morpholin-4-ylpropylamino)acetamide

N-[2-(cyclohexen-1-yl)ethyl]-2-(3-morpholin-4-ylpropylamino)acetamide (PubChem CID 3226624) 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-(3-morpholin-4-ylpropylamino)acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-(3-morpholin-4-ylpropylamino)acetamide
PubChem CID3226624
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-(3-morpholin-4-ylpropylamino)acetamide
SMILESO=C(CNCCCN1CCOCC1)NCCC1=CCCCC1
InChIInChI=1S/C17H31N3O2/c21-17(19-9-7-16-5-2-1-3-6-16)15-18-8-4-10-20-11-13-22-14-12-20/h5,18H,1-4,6-15H2,(H,19,21)
InChIKeyASBFWOBOXJAYBQ-UHFFFAOYSA-N
XLogP1.30
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-2-[(4-methylmorpholin-2-yl)methylamino]acetamide
CID 53616075
N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-methoxyethyl)oxamide
CID 2289204
N-[2-(cyclohexen-1-yl)ethyl]-2-(3-oxopiperazin-1-yl)acetamide
CID 8963352
N-[2-(cyclohexen-1-yl)ethyl]-2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide
CID 95345326
2-[[(2S)-6-methylhept-5-en-2-yl]amino]-1-morpholin-4-ylethanone
CID 97336858
N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-morpholin-4-ylethyl)oxamide
CID 2224636
N-[2-(cyclohex-1-en-1-yl)ethyl]-N'-[3-(morpholin-4-yl)propyl]ethanediamide
CID 5018134
Ethyl 4-(2-((2-(cyclohex-1-en-1-yl)ethyl)amino)-2-oxoacetamido)piperidine-1-carboxylate
CID 45584877
N-[(1-{2-[(2R*,6S*)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl}-1,2,5,6-tetrahydropyridin-3-yl)methyl]acetamide
CID 50952420
N-(1-{[1-(2-ethoxyethyl)-1,2,5,6-tetrahydropyridin-3-yl]methyl}piperidin-3-yl)acetamide
CID 50961460
N-(cyclohexen-1-yl)-2-[(4-methylmorpholin-2-yl)methylamino]-N-propylacetamide
CID 53615071
N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-morpholin-4-ium-4-ylethyl)oxamide
CID 2224635

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(3-morpholin-4-ylpropylamino)acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(3-morpholin-4-ylpropylamino)acetamide (CID 3226624) is N-[2-(cyclohexen-1-yl)ethyl]-2-(3-morpholin-4-ylpropylamino)acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-(3-morpholin-4-ylpropylamino)acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-(3-morpholin-4-ylpropylamino)acetamide is O=C(CNCCCN1CCOCC1)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-(3-morpholin-4-ylpropylamino)acetamide?
The InChIKey is ASBFWOBOXJAYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2/c21-17(19-9-7-16-5-2-1-3-6-16)15-18-8-4-10-20-11-13-22-14-12-20/h5,18H,1-4,6-15H2,(H,19,21).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-(3-morpholin-4-ylpropylamino)acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-(3-morpholin-4-ylpropylamino)acetamide has a molecular weight of 309.45 g/mol, XLogP of 1.30, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-(3-morpholin-4-ylpropylamino)acetamide is sourced from PubChem (CID 3226624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).