2-(hexadecylamino)-N-(oxolan-2-ylmethyl)acetamide

C23H46N2O2 — CID 54808872

IUPAC2-(hexadecylamino)-N-(oxolan-2-ylmethyl)acetamide
SMILESCCCCCCCCCCCCCCCCNCC(=O)NCC1CCCO1
InChIInChI=1S/C23H46N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-24-21-23(26)25-20-22-17-16-19-27-22/h22,24H,2-21H2,1H3,(H,25,26)
InChIKeyKIIQPZBYFLXINX-UHFFFAOYSA-N
MW382.63 g/mol
LogP5.35
Rot. Bonds19

About 2-(hexadecylamino)-N-(oxolan-2-ylmethyl)acetamide

2-(hexadecylamino)-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 54808872) has the molecular formula C23H46N2O2 and a molecular weight of 382.63 g/mol. Its IUPAC name is 2-(hexadecylamino)-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(hexadecylamino)-N-(oxolan-2-ylmethyl)acetamide
PubChem CID54808872
Molecular FormulaC23H46N2O2
Molecular Weight382.63 g/mol
Exact Mass382.36
IUPAC Name2-(hexadecylamino)-N-(oxolan-2-ylmethyl)acetamide
SMILESCCCCCCCCCCCCCCCCNCC(=O)NCC1CCCO1
InChIInChI=1S/C23H46N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-24-21-23(26)25-20-22-17-16-19-27-22/h22,24H,2-21H2,1H3,(H,25,26)
InChIKeyKIIQPZBYFLXINX-UHFFFAOYSA-N
XLogP5.35
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.63
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(butylamino)-N-(oxolan-2-ylmethyl)acetamide
CID 54815697
ethyl 4-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]butanoate
CID 60687916
N-[[(2R)-oxolan-2-yl]methyl]-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 7437120
2-(2-methoxyethylamino)-N-(oxolan-2-ylmethyl)acetamide;hydrochloride
CID 119670121
oxalic acid;N-(oxolan-2-ylmethyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 175652932
2,2-dimethyl-N-(oxolan-2-ylmethyl)-N'-pentylpropanediamide
CID 108960054
1-dodecyl-3-(oxolan-2-ylmethyl)thiourea
CID 19651400
2-(2-methoxyethylamino)-N-(oxan-2-ylmethyl)acetamide
CID 79281834
(5Z,8Z,11Z,14Z)-N-[[(2R)-oxolan-2-yl]methyl]icosa-5,8,11,14-tetraenamide
CID 23625079
2-(oxan-2-yl)-N-pentylacetamide
CID 110415818
2-(oxolan-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 110696563
N-(oxolan-2-ylmethyl)-2-(propylsulfonylamino)acetamide
CID 112991356

Frequently Asked Questions

What is the IUPAC name of 2-(hexadecylamino)-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(hexadecylamino)-N-(oxolan-2-ylmethyl)acetamide (CID 54808872) is 2-(hexadecylamino)-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(hexadecylamino)-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(hexadecylamino)-N-(oxolan-2-ylmethyl)acetamide is CCCCCCCCCCCCCCCCNCC(=O)NCC1CCCO1.
What is the InChIKey of 2-(hexadecylamino)-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is KIIQPZBYFLXINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-24-21-23(26)25-20-22-17-16-19-27-22/h22,24H,2-21H2,1H3,(H,25,26).
What are the key properties of 2-(hexadecylamino)-N-(oxolan-2-ylmethyl)acetamide?
2-(hexadecylamino)-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 382.63 g/mol, XLogP of 5.35, 19 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hexadecylamino)-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 54808872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).