N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)pentadecanamide

C22H42N2O2 — CID 167356963

IUPACN-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)pentadecanamide
SMILESCCCCCCCCCCCCCCC(=O)NC1CC(=O)N(C(C)C)C1
InChIInChI=1S/C22H42N2O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-21(25)23-20-17-22(26)24(18-20)19(2)3/h19-20H,4-18H2,1-3H3,(H,23,25)
InChIKeySHORCTKNNOEWAW-UHFFFAOYSA-N
MW366.59 g/mol
LogP5.20
Rot. Bonds15

About N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)pentadecanamide

N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)pentadecanamide (PubChem CID 167356963) has the molecular formula C22H42N2O2 and a molecular weight of 366.59 g/mol. Its IUPAC name is N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)pentadecanamide.

Molecular Properties

Compound NameN-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)pentadecanamide
PubChem CID167356963
Molecular FormulaC22H42N2O2
Molecular Weight366.59 g/mol
Exact Mass366.32
IUPAC NameN-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)pentadecanamide
SMILESCCCCCCCCCCCCCCC(=O)NC1CC(=O)N(C(C)C)C1
InChIInChI=1S/C22H42N2O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-21(25)23-20-17-22(26)24(18-20)19(2)3/h19-20H,4-18H2,1-3H3,(H,23,25)
InChIKeySHORCTKNNOEWAW-UHFFFAOYSA-N
XLogP5.20
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.59
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)butanamide
CID 110736652
N-(1-tert-butyl-5-oxopyrrolidin-3-yl)pentanamide
CID 110736860
2-(4-bromophenyl)-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)acetamide
CID 110736735
2-(2-methylphenyl)-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)acetamide
CID 110736726
2-(4-methoxyphenyl)-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)acetamide
CID 110736682
N-(4-oxocyclohexyl)octanamide
CID 43652747
tert-butyl N-[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]carbamate
CID 168817443
4-chloro-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]butanamide
CID 108564916
1-(2-chloroethyl)-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea
CID 108876829
N-cyclobutylicosanamide
CID 10384249
N-cyclobutylhexadecanamide
CID 67041463
CID 101170549
CID 101170549

Frequently Asked Questions

What is the IUPAC name of N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)pentadecanamide?
The IUPAC name of N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)pentadecanamide (CID 167356963) is N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)pentadecanamide.
What is the SMILES notation for N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)pentadecanamide?
The canonical SMILES for N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)pentadecanamide is CCCCCCCCCCCCCCC(=O)NC1CC(=O)N(C(C)C)C1.
What is the InChIKey of N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)pentadecanamide?
The InChIKey is SHORCTKNNOEWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42N2O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-21(25)23-20-17-22(26)24(18-20)19(2)3/h19-20H,4-18H2,1-3H3,(H,23,25).
What are the key properties of N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)pentadecanamide?
N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)pentadecanamide has a molecular weight of 366.59 g/mol, XLogP of 5.20, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)pentadecanamide is sourced from PubChem (CID 167356963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).