1-morpholin-2-ylhexadecan-1-one

C20H39NO2 — CID 70404670

IUPAC1-morpholin-2-ylhexadecan-1-one
SMILESCCCCCCCCCCCCCCCC(=O)C1CNCCO1
InChIInChI=1S/C20H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)20-18-21-16-17-23-20/h20-21H,2-18H2,1H3
InChIKeyFMLRRQABBSJVOO-UHFFFAOYSA-N
MW325.54 g/mol
LogP5.03
Rot. Bonds15

About 1-morpholin-2-ylhexadecan-1-one

1-morpholin-2-ylhexadecan-1-one (PubChem CID 70404670) has the molecular formula C20H39NO2 and a molecular weight of 325.54 g/mol. Its IUPAC name is 1-morpholin-2-ylhexadecan-1-one.

Molecular Properties

Compound Name1-morpholin-2-ylhexadecan-1-one
PubChem CID70404670
Molecular FormulaC20H39NO2
Molecular Weight325.54 g/mol
Exact Mass325.30
IUPAC Name1-morpholin-2-ylhexadecan-1-one
SMILESCCCCCCCCCCCCCCCC(=O)C1CNCCO1
InChIInChI=1S/C20H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)20-18-21-16-17-23-20/h20-21H,2-18H2,1H3
InChIKeyFMLRRQABBSJVOO-UHFFFAOYSA-N
XLogP5.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.54
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-morpholin-2-ylhexadecan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-morpholin-2-yloctan-1-one
CID 70601940
(Z)-1-morpholin-2-yloctadec-9-en-1-one
CID 174553797
N-octylmorpholine-2-carboxamide
CID 115567943
1,3-di(morpholin-2-yl)propan-1-one
CID 174895095
1-(1,4-dioxan-2-yl)tridecan-1-one
CID 65350783
1-(oxan-2-yl)nonan-1-one
CID 114966896
ethane;1-morpholin-2-ylethanone
CID 143224838
1-[(2R)-oxiran-2-yl]hexan-1-one
CID 177406041
1-morpholin-2-ylethyl decanoate
CID 174600549
N-butyl-N-ethylmorpholine-2-carboxamide;hydrochloride
CID 119676463
N-[(4-butylcyclohexyl)methyl]morpholine-2-carboxamide;hydrochloride
CID 119750312
1-(4-methylmorpholin-2-yl)tridecan-1-one
CID 79077559

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-2-ylhexadecan-1-one?
The IUPAC name of 1-morpholin-2-ylhexadecan-1-one (CID 70404670) is 1-morpholin-2-ylhexadecan-1-one.
What is the SMILES notation for 1-morpholin-2-ylhexadecan-1-one?
The canonical SMILES for 1-morpholin-2-ylhexadecan-1-one is CCCCCCCCCCCCCCCC(=O)C1CNCCO1.
What is the InChIKey of 1-morpholin-2-ylhexadecan-1-one?
The InChIKey is FMLRRQABBSJVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)20-18-21-16-17-23-20/h20-21H,2-18H2,1H3.
What are the key properties of 1-morpholin-2-ylhexadecan-1-one?
1-morpholin-2-ylhexadecan-1-one has a molecular weight of 325.54 g/mol, XLogP of 5.03, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-2-ylhexadecan-1-one is sourced from PubChem (CID 70404670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).