2-oxo-N-[2-(1H-pyrrol-2-yl)ethyl]hexadecanamide

C22H38N2O2 — CID 174517586

IUPAC2-oxo-N-[2-(1H-pyrrol-2-yl)ethyl]hexadecanamide
SMILESCCCCCCCCCCCCCCC(=O)C(=O)NCCc1ccc[nH]1
InChIInChI=1S/C22H38N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-21(25)22(26)24-19-17-20-15-14-18-23-20/h14-15,18,23H,2-13,16-17,19H2,1H3,(H,24,26)
InChIKeyZEUGINIHFICHMQ-UHFFFAOYSA-N
MW362.56 g/mol
LogP5.33
Rot. Bonds17

About 2-oxo-N-[2-(1H-pyrrol-2-yl)ethyl]hexadecanamide

2-oxo-N-[2-(1H-pyrrol-2-yl)ethyl]hexadecanamide (PubChem CID 174517586) has the molecular formula C22H38N2O2 and a molecular weight of 362.56 g/mol. Its IUPAC name is 2-oxo-N-[2-(1H-pyrrol-2-yl)ethyl]hexadecanamide.

Molecular Properties

Compound Name2-oxo-N-[2-(1H-pyrrol-2-yl)ethyl]hexadecanamide
PubChem CID174517586
Molecular FormulaC22H38N2O2
Molecular Weight362.56 g/mol
Exact Mass362.29
IUPAC Name2-oxo-N-[2-(1H-pyrrol-2-yl)ethyl]hexadecanamide
SMILESCCCCCCCCCCCCCCC(=O)C(=O)NCCc1ccc[nH]1
InChIInChI=1S/C22H38N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-21(25)22(26)24-19-17-20-15-14-18-23-20/h14-15,18,23H,2-13,16-17,19H2,1H3,(H,24,26)
InChIKeyZEUGINIHFICHMQ-UHFFFAOYSA-N
XLogP5.33
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.56
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-oxo-N-tetradecyloctadecanamide
CID 87948435
2-henicosyl-1H-pyrrole
CID 173176320
2-hexacosyl-1H-pyrrole
CID 173177329
N-[2-(1-methylpyridin-1-ium-2-yl)ethyl]-2-oxooctadecanamide iodide
CID 11214900
2-oxo-N-(4-oxooctyl)hexadecanamide
CID 44562729
N-[2-(1H-pyrrol-2-yl)ethyl]prop-2-ynamide
CID 130684110
N-[2-(1H-imidazol-5-yl)ethyl]heptanamide
CID 14712098
N-[2-(1H-imidazol-5-yl)ethyl]hexadecanamide
CID 171117218
ethyl 2-[2-(1H-pyrrol-2-yl)ethylamino]acetate
CID 115257497
methyl 4-(2-oxohexadecanoylamino)butanoate
CID 11360688
N-(1H-pyrrol-2-ylmethylideneamino)decanamide
CID 4196902
6-(1H-pyrrol-2-ylmethyl)undecan-6-ol
CID 67818955

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[2-(1H-pyrrol-2-yl)ethyl]hexadecanamide?
The IUPAC name of 2-oxo-N-[2-(1H-pyrrol-2-yl)ethyl]hexadecanamide (CID 174517586) is 2-oxo-N-[2-(1H-pyrrol-2-yl)ethyl]hexadecanamide.
What is the SMILES notation for 2-oxo-N-[2-(1H-pyrrol-2-yl)ethyl]hexadecanamide?
The canonical SMILES for 2-oxo-N-[2-(1H-pyrrol-2-yl)ethyl]hexadecanamide is CCCCCCCCCCCCCCC(=O)C(=O)NCCc1ccc[nH]1.
What is the InChIKey of 2-oxo-N-[2-(1H-pyrrol-2-yl)ethyl]hexadecanamide?
The InChIKey is ZEUGINIHFICHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-21(25)22(26)24-19-17-20-15-14-18-23-20/h14-15,18,23H,2-13,16-17,19H2,1H3,(H,24,26).
What are the key properties of 2-oxo-N-[2-(1H-pyrrol-2-yl)ethyl]hexadecanamide?
2-oxo-N-[2-(1H-pyrrol-2-yl)ethyl]hexadecanamide has a molecular weight of 362.56 g/mol, XLogP of 5.33, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[2-(1H-pyrrol-2-yl)ethyl]hexadecanamide is sourced from PubChem (CID 174517586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).