N-[6-[(2S)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-6-oxohexyl]pentadecanamide

C26H50N2O4 — CID 66701890

IUPACN-[6-[(2S)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-6-oxohexyl]pentadecanamide
SMILESCCCCCCCCCCCCCCC(=O)NCCCCCC(=O)N1CC(O)C[C@H]1CO
InChIInChI=1S/C26H50N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-25(31)27-19-16-13-15-18-26(32)28-21-24(30)20-23(28)22-29/h23-24,29-30H,2-22H2,1H3,(H,27,31)/t23-,24?/m0/s1
InChIKeyNRTREOQRPWTDJQ-UXMRNZNESA-N
MW454.70 g/mol
LogP4.71
Rot. Bonds20

About N-[6-[(2S)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-6-oxohexyl]pentadecanamide

N-[6-[(2S)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-6-oxohexyl]pentadecanamide (PubChem CID 66701890) has the molecular formula C26H50N2O4 and a molecular weight of 454.70 g/mol. Its IUPAC name is N-[6-[(2S)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-6-oxohexyl]pentadecanamide.

Molecular Properties

Compound NameN-[6-[(2S)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-6-oxohexyl]pentadecanamide
PubChem CID66701890
Molecular FormulaC26H50N2O4
Molecular Weight454.70 g/mol
Exact Mass454.38
IUPAC NameN-[6-[(2S)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-6-oxohexyl]pentadecanamide
SMILESCCCCCCCCCCCCCCC(=O)NCCCCCC(=O)N1CC(O)C[C@H]1CO
InChIInChI=1S/C26H50N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-25(31)27-19-16-13-15-18-26(32)28-21-24(30)20-23(28)22-29/h23-24,29-30H,2-22H2,1H3,(H,27,31)/t23-,24?/m0/s1
InChIKeyNRTREOQRPWTDJQ-UXMRNZNESA-N
XLogP4.71
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.70
LogP ≤ 54.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[6-[(2S)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-6-oxohexyl]pentadecanamide 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

1-[(2S)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]hexadecan-1-one
CID 170241396
N-[6-[(4R)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-6-oxohexyl]hex-5-ynamide
CID 170122689
[6-[(2R,4S)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-6-oxohexyl]urea
CID 121419437
1-[4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-6-(sulfanylamino)hexan-1-one
CID 153349275
1-[(2S,4R)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]tridecane-1,12-dione
CID 126580608
methyl 10-[(2S,4R)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-10-oxodecanoate
CID 176754655
(2R,4S)-N-dodecyl-4-hydroxy-1-tetradecanoylpyrrolidine-2-carboxamide
CID 11591557
4-[[3-[(2S,4R)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-3-oxopropyl]amino]-4-oxobutanoic acid
CID 166590760
N-[6-[(2S,4R)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-6-oxohexyl]-6-[2-[2-[(11Z,14Z)-icosa-11,14-dienyl]-2-[(9Z,12Z)-octadeca-9,12-dienyl]-1,3-dioxolan-4-yl]ethyl-methylamino]hexanamide
CID 88946627
N-[2-[2-[2-[(2S,4R)-2-(hydroxymethyl)-4-propan-2-yloxypyrrolidin-1-yl]-2-oxoethoxy]ethoxy]ethyl]hexadecanamide
CID 89476282
N-hexadecylhexanamide
CID 4953738
N-pentylicosanamide
CID 139961886

Frequently Asked Questions

What is the IUPAC name of N-[6-[(2S)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-6-oxohexyl]pentadecanamide?
The IUPAC name of N-[6-[(2S)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-6-oxohexyl]pentadecanamide (CID 66701890) is N-[6-[(2S)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-6-oxohexyl]pentadecanamide.
What is the SMILES notation for N-[6-[(2S)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-6-oxohexyl]pentadecanamide?
The canonical SMILES for N-[6-[(2S)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-6-oxohexyl]pentadecanamide is CCCCCCCCCCCCCCC(=O)NCCCCCC(=O)N1CC(O)C[C@H]1CO.
What is the InChIKey of N-[6-[(2S)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-6-oxohexyl]pentadecanamide?
The InChIKey is NRTREOQRPWTDJQ-UXMRNZNESA-N. The full InChI is InChI=1S/C26H50N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-25(31)27-19-16-13-15-18-26(32)28-21-24(30)20-23(28)22-29/h23-24,29-30H,2-22H2,1H3,(H,27,31)/t23-,24?/m0/s1.
What are the key properties of N-[6-[(2S)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-6-oxohexyl]pentadecanamide?
N-[6-[(2S)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-6-oxohexyl]pentadecanamide has a molecular weight of 454.70 g/mol, XLogP of 4.71, 20 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(2S)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-6-oxohexyl]pentadecanamide is sourced from PubChem (CID 66701890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).