N-(3-aminopropyl)-1-nonanoylpyrrolidine-2-carboxamide

C17H33N3O2 — CID 23503481

IUPACN-(3-aminopropyl)-1-nonanoylpyrrolidine-2-carboxamide
SMILESCCCCCCCCC(=O)N1CCCC1C(=O)NCCCN
InChIInChI=1S/C17H33N3O2/c1-2-3-4-5-6-7-11-16(21)20-14-8-10-15(20)17(22)19-13-9-12-18/h15H,2-14,18H2,1H3,(H,19,22)
InChIKeyDLLFHHYIHDBLDS-UHFFFAOYSA-N
MW311.47 g/mol
LogP2.19
Rot. Bonds11

About N-(3-aminopropyl)-1-nonanoylpyrrolidine-2-carboxamide

N-(3-aminopropyl)-1-nonanoylpyrrolidine-2-carboxamide (PubChem CID 23503481) has the molecular formula C17H33N3O2 and a molecular weight of 311.47 g/mol. Its IUPAC name is N-(3-aminopropyl)-1-nonanoylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-1-nonanoylpyrrolidine-2-carboxamide
PubChem CID23503481
Molecular FormulaC17H33N3O2
Molecular Weight311.47 g/mol
Exact Mass311.26
IUPAC NameN-(3-aminopropyl)-1-nonanoylpyrrolidine-2-carboxamide
SMILESCCCCCCCCC(=O)N1CCCC1C(=O)NCCCN
InChIInChI=1S/C17H33N3O2/c1-2-3-4-5-6-7-11-16(21)20-14-8-10-15(20)17(22)19-13-9-12-18/h15H,2-14,18H2,1H3,(H,19,22)
InChIKeyDLLFHHYIHDBLDS-UHFFFAOYSA-N
XLogP2.19
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-aminopropyl)-1-nonanoylpyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-(3-aminopropyl)-1-undecanoylpiperidine-2-carboxamide
CID 69288111
(2R)-N-(5-aminopentyl)-1-hexanoylpiperidine-2-carboxamide
CID 69288781
N-(6-aminohexyl)-1-tridecanoylpiperidine-2-carboxamide
CID 23503497
(2R)-N-(3-aminopropyl)-1-nonanoylpiperidine-2-carboxamide;(2S)-N-(3-aminopropyl)-1-nonanoylpiperidine-2-carboxamide;(2R)-1-octanoylpiperidine-2-carboxylic acid;pentane-1,5-diamine
CID 172840576
4-[(2S)-2-(heptylcarbamoyl)pyrrolidin-1-yl]-4-oxobutanoic acid
CID 177401616
1-(7-aminoheptanoyl)-N-methylpyrrolidine-2-carboxamide
CID 60953275
tert-butyl N-[6-[(1-tridecanoylpiperidine-2-carbonyl)amino]hexyl]carbamate
CID 69287176
[(2R)-1-hexanoylpyrrolidin-2-yl] N-(3-aminopropyl)carbamate
CID 69288161
N-[6-oxo-5-[(1-tetradecanoylpyrrolidine-2-carbonyl)amino]heptyl]-1-tetradecanoylpyrrolidine-2-carboxamide
CID 152904698
2-(dodecylcarbamoyl)pyrrolidine-1-carboxylic acid
CID 67813916
[(2S)-1-undecanoylpyrrolidin-2-yl] N-(5-aminopentyl)carbamate
CID 69288071
N-(5-aminopentyl)-2-[(2R)-1-tridecanoylpyrrolidin-2-yl]acetamide
CID 139965431

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-1-nonanoylpyrrolidine-2-carboxamide?
The IUPAC name of N-(3-aminopropyl)-1-nonanoylpyrrolidine-2-carboxamide (CID 23503481) is N-(3-aminopropyl)-1-nonanoylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-1-nonanoylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-1-nonanoylpyrrolidine-2-carboxamide is CCCCCCCCC(=O)N1CCCC1C(=O)NCCCN.
What is the InChIKey of N-(3-aminopropyl)-1-nonanoylpyrrolidine-2-carboxamide?
The InChIKey is DLLFHHYIHDBLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O2/c1-2-3-4-5-6-7-11-16(21)20-14-8-10-15(20)17(22)19-13-9-12-18/h15H,2-14,18H2,1H3,(H,19,22).
What are the key properties of N-(3-aminopropyl)-1-nonanoylpyrrolidine-2-carboxamide?
N-(3-aminopropyl)-1-nonanoylpyrrolidine-2-carboxamide has a molecular weight of 311.47 g/mol, XLogP of 2.19, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-1-nonanoylpyrrolidine-2-carboxamide is sourced from PubChem (CID 23503481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).