(2S)-N-dodecyl-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide

C22H41N3O2 — CID 57325416

IUPAC(2S)-N-dodecyl-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
SMILESCCCCCCCCCCCCNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1
InChIInChI=1S/C22H41N3O2/c1-2-3-4-5-6-7-8-9-10-11-16-24-21(26)20-15-13-18-25(20)22(27)19-14-12-17-23-19/h19-20,23H,2-18H2,1H3,(H,24,26)/t19-,20-/m0/s1
InChIKeyVWPVALOPPKNSFP-PMACEKPBSA-N
MW379.59 g/mol
LogP3.77
Rot. Bonds13

About (2S)-N-dodecyl-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide

(2S)-N-dodecyl-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide (PubChem CID 57325416) has the molecular formula C22H41N3O2 and a molecular weight of 379.59 g/mol. Its IUPAC name is (2S)-N-dodecyl-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-dodecyl-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
PubChem CID57325416
Molecular FormulaC22H41N3O2
Molecular Weight379.59 g/mol
Exact Mass379.32
IUPAC Name(2S)-N-dodecyl-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
SMILESCCCCCCCCCCCCNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1
InChIInChI=1S/C22H41N3O2/c1-2-3-4-5-6-7-8-9-10-11-16-24-21(26)20-15-13-18-25(20)22(27)19-14-12-17-23-19/h19-20,23H,2-18H2,1H3,(H,24,26)/t19-,20-/m0/s1
InChIKeyVWPVALOPPKNSFP-PMACEKPBSA-N
XLogP3.77
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.59
LogP ≤ 53.77
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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Frequently Asked Questions

What is the IUPAC name of (2S)-N-dodecyl-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-dodecyl-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide (CID 57325416) is (2S)-N-dodecyl-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-dodecyl-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-dodecyl-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide is CCCCCCCCCCCCNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-dodecyl-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide?
The InChIKey is VWPVALOPPKNSFP-PMACEKPBSA-N. The full InChI is InChI=1S/C22H41N3O2/c1-2-3-4-5-6-7-8-9-10-11-16-24-21(26)20-15-13-18-25(20)22(27)19-14-12-17-23-19/h19-20,23H,2-18H2,1H3,(H,24,26)/t19-,20-/m0/s1.
What are the key properties of (2S)-N-dodecyl-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide?
(2S)-N-dodecyl-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide has a molecular weight of 379.59 g/mol, XLogP of 3.77, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-dodecyl-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 57325416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).