1,2-di(tetradecyl)pyrrolidine-3,4-dicarboxamide

C34H67N3O2 — CID 175161181

IUPAC1,2-di(tetradecyl)pyrrolidine-3,4-dicarboxamide
SMILESCCCCCCCCCCCCCCC1C(C(N)=O)C(C(N)=O)CN1CCCCCCCCCCCCCC
InChIInChI=1S/C34H67N3O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-31-32(34(36)39)30(33(35)38)29-37(31)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h30-32H,3-29H2,1-2H3,(H2,35,38)(H2,36,39)
InChIKeyWEBYBFMLMQOSMY-UHFFFAOYSA-N
MW549.93 g/mol
LogP8.67
Rot. Bonds28

About 1,2-di(tetradecyl)pyrrolidine-3,4-dicarboxamide

1,2-di(tetradecyl)pyrrolidine-3,4-dicarboxamide (PubChem CID 175161181) has the molecular formula C34H67N3O2 and a molecular weight of 549.93 g/mol. Its IUPAC name is 1,2-di(tetradecyl)pyrrolidine-3,4-dicarboxamide.

Molecular Properties

Compound Name1,2-di(tetradecyl)pyrrolidine-3,4-dicarboxamide
PubChem CID175161181
Molecular FormulaC34H67N3O2
Molecular Weight549.93 g/mol
Exact Mass549.52
IUPAC Name1,2-di(tetradecyl)pyrrolidine-3,4-dicarboxamide
SMILESCCCCCCCCCCCCCCC1C(C(N)=O)C(C(N)=O)CN1CCCCCCCCCCCCCC
InChIInChI=1S/C34H67N3O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-31-32(34(36)39)30(33(35)38)29-37(31)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h30-32H,3-29H2,1-2H3,(H2,35,38)(H2,36,39)
InChIKeyWEBYBFMLMQOSMY-UHFFFAOYSA-N
XLogP8.67
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds28
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.93
LogP ≤ 58.67
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-decylaziridine-1-carboxamide
CID 175486597
(2R,3R,4S)-1-nonyl-2-propylpyrrolidine-3,4-diol
CID 67340954
(2R,3S)-1-dodecyl-5-oxo-2-undecylpyrrolidine-3-carboxylic acid
CID 171432322
ethyl 1-hexyl-3-pentylaziridine-2-carboxylate
CID 15499325
1-heptyl-2-methylaziridine
CID 142378837
1-tetradecylaziridine-2-carboxylate
CID 58963949
4-hexylmorpholine-3-carboxamide
CID 174697838
[(2R,3R,4R,5S)-3,4,5-tri(butanoyloxy)-1-octylpiperidin-2-yl]methyl butanoate
CID 11952074
[(2R,3R,4R,5S)-3,4,5-tri(butanoyloxy)-1-pentadecylpiperidin-2-yl]methyl butanoate
CID 11952249
chlorobenzene;1,2-diethylpyrrolidine-3,4-dicarboxamide;hydrochloride
CID 174951648
(1-dodecylaziridin-2-yl)methanol
CID 87744504
2-(hydroxymethyl)-1-octylpiperidine-3,4,5-triol
CID 12766488

Frequently Asked Questions

What is the IUPAC name of 1,2-di(tetradecyl)pyrrolidine-3,4-dicarboxamide?
The IUPAC name of 1,2-di(tetradecyl)pyrrolidine-3,4-dicarboxamide (CID 175161181) is 1,2-di(tetradecyl)pyrrolidine-3,4-dicarboxamide.
What is the SMILES notation for 1,2-di(tetradecyl)pyrrolidine-3,4-dicarboxamide?
The canonical SMILES for 1,2-di(tetradecyl)pyrrolidine-3,4-dicarboxamide is CCCCCCCCCCCCCCC1C(C(N)=O)C(C(N)=O)CN1CCCCCCCCCCCCCC.
What is the InChIKey of 1,2-di(tetradecyl)pyrrolidine-3,4-dicarboxamide?
The InChIKey is WEBYBFMLMQOSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H67N3O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-31-32(34(36)39)30(33(35)38)29-37(31)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h30-32H,3-29H2,1-2H3,(H2,35,38)(H2,36,39).
What are the key properties of 1,2-di(tetradecyl)pyrrolidine-3,4-dicarboxamide?
1,2-di(tetradecyl)pyrrolidine-3,4-dicarboxamide has a molecular weight of 549.93 g/mol, XLogP of 8.67, 28 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-di(tetradecyl)pyrrolidine-3,4-dicarboxamide is sourced from PubChem (CID 175161181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).