1,14-dipyrrolidin-1-yltetradecane-1,14-dione

C22H40N2O2 — CID 14040379

IUPAC1,14-dipyrrolidin-1-yltetradecane-1,14-dione
SMILESO=C(CCCCCCCCCCCCC(=O)N1CCCC1)N1CCCC1
InChIInChI=1S/C22H40N2O2/c25-21(23-17-11-12-18-23)15-9-7-5-3-1-2-4-6-8-10-16-22(26)24-19-13-14-20-24/h1-20H2
InChIKeyPHQBJFMMQJZFDJ-UHFFFAOYSA-N
MW364.57 g/mol
LogP4.91
Rot. Bonds13

About 1,14-dipyrrolidin-1-yltetradecane-1,14-dione

1,14-dipyrrolidin-1-yltetradecane-1,14-dione (PubChem CID 14040379) has the molecular formula C22H40N2O2 and a molecular weight of 364.57 g/mol. Its IUPAC name is 1,14-dipyrrolidin-1-yltetradecane-1,14-dione.

Molecular Properties

Compound Name1,14-dipyrrolidin-1-yltetradecane-1,14-dione
PubChem CID14040379
Molecular FormulaC22H40N2O2
Molecular Weight364.57 g/mol
Exact Mass364.31
IUPAC Name1,14-dipyrrolidin-1-yltetradecane-1,14-dione
SMILESO=C(CCCCCCCCCCCCC(=O)N1CCCC1)N1CCCC1
InChIInChI=1S/C22H40N2O2/c25-21(23-17-11-12-18-23)15-9-7-5-3-1-2-4-6-8-10-16-22(26)24-19-13-14-20-24/h1-20H2
InChIKeyPHQBJFMMQJZFDJ-UHFFFAOYSA-N
XLogP4.91
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.57
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(1-Pyrrolidinyl)-1-hexadecanone
CID 247220
Pyrrolidine, 1-stearoyl-
CID 574659
Eicosanoic acid, pyrrolidide
CID 85783950
1-(Pyrrolidin-1-yl)dodecan-1-one
CID 246839
1,9-Nonanedioic acid, pyrrolidide
CID 247218
1-(Pyrrolidin-1-yl)tridecan-1-one
CID 304095
1,6-Bis(1-pyrrolidinyl)-1,6-hexanedione
CID 1812104
1-(Pyrrolidin-1-yl)tetradecan-1-one
CID 247219
Pyrrolidine, 1-(1-oxoheptadecyl)-
CID 574649
Pyrrolidine, 1-(1,6-dioxooctadecyl)-
CID 537253
1-Hexadecanoylpyrrolidin-2-one
CID 15208369
18-Fluoro-octadecanoic acid, pyrrolidide
CID 91705102

Frequently Asked Questions

What is the IUPAC name of 1,14-dipyrrolidin-1-yltetradecane-1,14-dione?
The IUPAC name of 1,14-dipyrrolidin-1-yltetradecane-1,14-dione (CID 14040379) is 1,14-dipyrrolidin-1-yltetradecane-1,14-dione.
What is the SMILES notation for 1,14-dipyrrolidin-1-yltetradecane-1,14-dione?
The canonical SMILES for 1,14-dipyrrolidin-1-yltetradecane-1,14-dione is O=C(CCCCCCCCCCCCC(=O)N1CCCC1)N1CCCC1.
What is the InChIKey of 1,14-dipyrrolidin-1-yltetradecane-1,14-dione?
The InChIKey is PHQBJFMMQJZFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40N2O2/c25-21(23-17-11-12-18-23)15-9-7-5-3-1-2-4-6-8-10-16-22(26)24-19-13-14-20-24/h1-20H2.
What are the key properties of 1,14-dipyrrolidin-1-yltetradecane-1,14-dione?
1,14-dipyrrolidin-1-yltetradecane-1,14-dione has a molecular weight of 364.57 g/mol, XLogP of 4.91, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,14-dipyrrolidin-1-yltetradecane-1,14-dione is sourced from PubChem (CID 14040379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).