N-(5-aminopentyl)-2-[(2R)-1-tridecanoylpyrrolidin-2-yl]acetamide

C24H47N3O2 — CID 139965431

IUPACN-(5-aminopentyl)-2-[(2R)-1-tridecanoylpyrrolidin-2-yl]acetamide
SMILESCCCCCCCCCCCCC(=O)N1CCC[C@@H]1CC(=O)NCCCCCN
InChIInChI=1S/C24H47N3O2/c1-2-3-4-5-6-7-8-9-10-12-17-24(29)27-20-15-16-22(27)21-23(28)26-19-14-11-13-18-25/h22H,2-21,25H2,1H3,(H,26,28)/t22-/m1/s1
InChIKeyFZVXDJPBYLGMTP-JOCHJYFZSA-N
MW409.66 g/mol
LogP4.92
Rot. Bonds18

About N-(5-aminopentyl)-2-[(2R)-1-tridecanoylpyrrolidin-2-yl]acetamide

N-(5-aminopentyl)-2-[(2R)-1-tridecanoylpyrrolidin-2-yl]acetamide (PubChem CID 139965431) has the molecular formula C24H47N3O2 and a molecular weight of 409.66 g/mol. Its IUPAC name is N-(5-aminopentyl)-2-[(2R)-1-tridecanoylpyrrolidin-2-yl]acetamide.

Molecular Properties

Compound NameN-(5-aminopentyl)-2-[(2R)-1-tridecanoylpyrrolidin-2-yl]acetamide
PubChem CID139965431
Molecular FormulaC24H47N3O2
Molecular Weight409.66 g/mol
Exact Mass409.37
IUPAC NameN-(5-aminopentyl)-2-[(2R)-1-tridecanoylpyrrolidin-2-yl]acetamide
SMILESCCCCCCCCCCCCC(=O)N1CCC[C@@H]1CC(=O)NCCCCCN
InChIInChI=1S/C24H47N3O2/c1-2-3-4-5-6-7-8-9-10-12-17-24(29)27-20-15-16-22(27)21-23(28)26-19-14-11-13-18-25/h22H,2-21,25H2,1H3,(H,26,28)/t22-/m1/s1
InChIKeyFZVXDJPBYLGMTP-JOCHJYFZSA-N
XLogP4.92
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.66
LogP ≤ 54.92
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

N-(5-aminopentyl)-2-(1-tridecanoylpyrrolidin-2-yl)acetamide
CID 139965363
[(2S)-1-undecanoylpyrrolidin-2-yl] N-(5-aminopentyl)carbamate
CID 69288071
1-[2-(2-aminoethyl)pyrrolidin-1-yl]heptan-1-one
CID 90749675
(2R)-N-(5-aminopentyl)-1-hexanoylpiperidine-2-carboxamide
CID 69288781
N-(6-aminohexyl)-1-tridecanoylpiperidine-2-carboxamide
CID 23503497
N-(3-aminopropyl)-1-nonanoylpyrrolidine-2-carboxamide
CID 23503481
1-[2-(2-oxopropyl)pyrrolidin-1-yl]hexan-1-one
CID 79540345
1-[2-(3-aminopropyl)pyrrolidin-1-yl]pentan-1-one
CID 63767295
[(2R)-1-hexanoylpyrrolidin-2-yl] N-(3-aminopropyl)carbamate
CID 69288161
1-[2-(aminomethyl)piperidin-1-yl]decan-1-one
CID 65428281
1-[(2R)-2-(aminomethyl)piperidin-1-yl]tridecan-1-one
CID 129384436
6-amino-1-(2-ethylpiperidin-1-yl)hexan-1-one
CID 43266540

Frequently Asked Questions

What is the IUPAC name of N-(5-aminopentyl)-2-[(2R)-1-tridecanoylpyrrolidin-2-yl]acetamide?
The IUPAC name of N-(5-aminopentyl)-2-[(2R)-1-tridecanoylpyrrolidin-2-yl]acetamide (CID 139965431) is N-(5-aminopentyl)-2-[(2R)-1-tridecanoylpyrrolidin-2-yl]acetamide.
What is the SMILES notation for N-(5-aminopentyl)-2-[(2R)-1-tridecanoylpyrrolidin-2-yl]acetamide?
The canonical SMILES for N-(5-aminopentyl)-2-[(2R)-1-tridecanoylpyrrolidin-2-yl]acetamide is CCCCCCCCCCCCC(=O)N1CCC[C@@H]1CC(=O)NCCCCCN.
What is the InChIKey of N-(5-aminopentyl)-2-[(2R)-1-tridecanoylpyrrolidin-2-yl]acetamide?
The InChIKey is FZVXDJPBYLGMTP-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H47N3O2/c1-2-3-4-5-6-7-8-9-10-12-17-24(29)27-20-15-16-22(27)21-23(28)26-19-14-11-13-18-25/h22H,2-21,25H2,1H3,(H,26,28)/t22-/m1/s1.
What are the key properties of N-(5-aminopentyl)-2-[(2R)-1-tridecanoylpyrrolidin-2-yl]acetamide?
N-(5-aminopentyl)-2-[(2R)-1-tridecanoylpyrrolidin-2-yl]acetamide has a molecular weight of 409.66 g/mol, XLogP of 4.92, 18 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-aminopentyl)-2-[(2R)-1-tridecanoylpyrrolidin-2-yl]acetamide is sourced from PubChem (CID 139965431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).