N-hex-5-ynyl-2-morpholin-3-ylacetamide

C12H20N2O2 — CID 106213141

IUPACN-hex-5-ynyl-2-morpholin-3-ylacetamide
SMILESC#CCCCCNC(=O)CC1COCCN1
InChIInChI=1S/C12H20N2O2/c1-2-3-4-5-6-14-12(15)9-11-10-16-8-7-13-11/h1,11,13H,3-10H2,(H,14,15)
InChIKeyCELNRBRXCIMYQS-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.28
Rot. Bonds6

About N-hex-5-ynyl-2-morpholin-3-ylacetamide

N-hex-5-ynyl-2-morpholin-3-ylacetamide (PubChem CID 106213141) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N-hex-5-ynyl-2-morpholin-3-ylacetamide.

Molecular Properties

Compound NameN-hex-5-ynyl-2-morpholin-3-ylacetamide
PubChem CID106213141
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN-hex-5-ynyl-2-morpholin-3-ylacetamide
SMILESC#CCCCCNC(=O)CC1COCCN1
InChIInChI=1S/C12H20N2O2/c1-2-3-4-5-6-14-12(15)9-11-10-16-8-7-13-11/h1,11,13H,3-10H2,(H,14,15)
InChIKeyCELNRBRXCIMYQS-UHFFFAOYSA-N
XLogP0.28
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-morpholin-3-yl-N-octylacetamide
CID 113337235
N-[(4-hydroxyoxan-4-yl)methyl]-2-morpholin-3-ylacetamide
CID 81130635
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-pent-4-ynylacetamide
CID 114160164
N-(2-methylprop-2-enyl)-2-morpholin-3-ylacetamide
CID 114617037
N-[[1-(dimethylamino)cyclobutyl]methyl]-2-morpholin-3-ylacetamide
CID 105417370
N-(3,3-diphenylpropyl)-2-[(3S)-morpholin-3-yl]acetamide
CID 95723724
N-(2-but-3-enoxyethyl)-2-morpholin-3-ylacetamide
CID 106398158
2-cyclopropyl-N-(morpholin-3-ylmethyl)acetamide
CID 103548657
N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-morpholin-3-ylacetamide
CID 80682093
N-(2-cyclopentyl-2-methylpropyl)-2-morpholin-3-ylacetamide
CID 115178172
2-[1-[[(2-morpholin-3-ylacetyl)amino]methyl]cyclobutyl]acetic acid
CID 81161091
N-[3-(benzotriazol-1-yl)propyl]-2-morpholin-3-ylacetamide;hydrochloride
CID 154892791

Frequently Asked Questions

What is the IUPAC name of N-hex-5-ynyl-2-morpholin-3-ylacetamide?
The IUPAC name of N-hex-5-ynyl-2-morpholin-3-ylacetamide (CID 106213141) is N-hex-5-ynyl-2-morpholin-3-ylacetamide.
What is the SMILES notation for N-hex-5-ynyl-2-morpholin-3-ylacetamide?
The canonical SMILES for N-hex-5-ynyl-2-morpholin-3-ylacetamide is C#CCCCCNC(=O)CC1COCCN1.
What is the InChIKey of N-hex-5-ynyl-2-morpholin-3-ylacetamide?
The InChIKey is CELNRBRXCIMYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-2-3-4-5-6-14-12(15)9-11-10-16-8-7-13-11/h1,11,13H,3-10H2,(H,14,15).
What are the key properties of N-hex-5-ynyl-2-morpholin-3-ylacetamide?
N-hex-5-ynyl-2-morpholin-3-ylacetamide has a molecular weight of 224.30 g/mol, XLogP of 0.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-5-ynyl-2-morpholin-3-ylacetamide is sourced from PubChem (CID 106213141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).