N-(12-pyrrol-1-yldodecyl)acetamide

C18H32N2O — CID 71416959

IUPACN-(12-pyrrol-1-yldodecyl)acetamide
SMILESCC(=O)NCCCCCCCCCCCCn1cccc1
InChIInChI=1S/C18H32N2O/c1-18(21)19-14-10-8-6-4-2-3-5-7-9-11-15-20-16-12-13-17-20/h12-13,16-17H,2-11,14-15H2,1H3,(H,19,21)
InChIKeyAXYUSGYPEDBUMY-UHFFFAOYSA-N
MW292.47 g/mol
LogP4.53
Rot. Bonds13

About N-(12-pyrrol-1-yldodecyl)acetamide

N-(12-pyrrol-1-yldodecyl)acetamide (PubChem CID 71416959) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is N-(12-pyrrol-1-yldodecyl)acetamide.

Molecular Properties

Compound NameN-(12-pyrrol-1-yldodecyl)acetamide
PubChem CID71416959
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC NameN-(12-pyrrol-1-yldodecyl)acetamide
SMILESCC(=O)NCCCCCCCCCCCCn1cccc1
InChIInChI=1S/C18H32N2O/c1-18(21)19-14-10-8-6-4-2-3-5-7-9-11-15-20-16-12-13-17-20/h12-13,16-17H,2-11,14-15H2,1H3,(H,19,21)
InChIKeyAXYUSGYPEDBUMY-UHFFFAOYSA-N
XLogP4.53
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(12-pyrrol-1-yldodecyl)acetamide?
The IUPAC name of N-(12-pyrrol-1-yldodecyl)acetamide (CID 71416959) is N-(12-pyrrol-1-yldodecyl)acetamide.
What is the SMILES notation for N-(12-pyrrol-1-yldodecyl)acetamide?
The canonical SMILES for N-(12-pyrrol-1-yldodecyl)acetamide is CC(=O)NCCCCCCCCCCCCn1cccc1.
What is the InChIKey of N-(12-pyrrol-1-yldodecyl)acetamide?
The InChIKey is AXYUSGYPEDBUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-18(21)19-14-10-8-6-4-2-3-5-7-9-11-15-20-16-12-13-17-20/h12-13,16-17H,2-11,14-15H2,1H3,(H,19,21).
What are the key properties of N-(12-pyrrol-1-yldodecyl)acetamide?
N-(12-pyrrol-1-yldodecyl)acetamide has a molecular weight of 292.47 g/mol, XLogP of 4.53, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(12-pyrrol-1-yldodecyl)acetamide is sourced from PubChem (CID 71416959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).