N-(1-methylpyrrolidin-3-yl)-12-oxotridecanamide

C18H34N2O2 — CID 169229027

IUPACN-(1-methylpyrrolidin-3-yl)-12-oxotridecanamide
SMILESCC(=O)CCCCCCCCCCC(=O)NC1CCN(C)C1
InChIInChI=1S/C18H34N2O2/c1-16(21)11-9-7-5-3-4-6-8-10-12-18(22)19-17-13-14-20(2)15-17/h17H,3-15H2,1-2H3,(H,19,22)
InChIKeyPLLVJIRUSWMTEA-UHFFFAOYSA-N
MW310.48 g/mol
LogP3.30
Rot. Bonds12

About N-(1-methylpyrrolidin-3-yl)-12-oxotridecanamide

N-(1-methylpyrrolidin-3-yl)-12-oxotridecanamide (PubChem CID 169229027) has the molecular formula C18H34N2O2 and a molecular weight of 310.48 g/mol. Its IUPAC name is N-(1-methylpyrrolidin-3-yl)-12-oxotridecanamide.

Molecular Properties

Compound NameN-(1-methylpyrrolidin-3-yl)-12-oxotridecanamide
PubChem CID169229027
Molecular FormulaC18H34N2O2
Molecular Weight310.48 g/mol
Exact Mass310.26
IUPAC NameN-(1-methylpyrrolidin-3-yl)-12-oxotridecanamide
SMILESCC(=O)CCCCCCCCCCC(=O)NC1CCN(C)C1
InChIInChI=1S/C18H34N2O2/c1-16(21)11-9-7-5-3-4-6-8-10-12-18(22)19-17-13-14-20(2)15-17/h17H,3-15H2,1-2H3,(H,19,22)
InChIKeyPLLVJIRUSWMTEA-UHFFFAOYSA-N
XLogP3.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(R)-N-(5-Amino-6-((3-((4-((3-aminopropyl)amino)butyl)amino)propyl)amino)-6-oxohexyl)palmitamide
CID 10144565
(S)-N-(5-Amino-6-((3-((4-((3-aminopropyl)amino)butyl)amino)propyl)amino)-6-oxohexyl)palmitamide
CID 9916009
Amidoamine S
CID 24091
3-oxo-N-[(3S)-2-oxopyrrolidin-3-yl]dodecanamide
CID 16122585
Decanamide, N,N'-1,2-ethanediylbis-
CID 283611
N-(2-(Dimethylamino)-ethyl)-lauramide
CID 4644625
N-[5-amino-6-[3-[4-(3-aminopropylamino)butylamino]propylamino]-6-oxohexyl]heptadecanamide
CID 166626689
Tridecanoic acid (2-dimethylamino-ethyl)-amide
CID 44339740
Dodecanamide, N-(2-(diethylamino)ethyl)-
CID 44529
Decanamide, N-(2-(diethylamino)ethyl)-
CID 58369
Tetradecanamide, N-(2-(diethylamino)ethyl)-
CID 3066306
N,N'-Ethylenebismyristamide
CID 78810

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrrolidin-3-yl)-12-oxotridecanamide?
The IUPAC name of N-(1-methylpyrrolidin-3-yl)-12-oxotridecanamide (CID 169229027) is N-(1-methylpyrrolidin-3-yl)-12-oxotridecanamide.
What is the SMILES notation for N-(1-methylpyrrolidin-3-yl)-12-oxotridecanamide?
The canonical SMILES for N-(1-methylpyrrolidin-3-yl)-12-oxotridecanamide is CC(=O)CCCCCCCCCCC(=O)NC1CCN(C)C1.
What is the InChIKey of N-(1-methylpyrrolidin-3-yl)-12-oxotridecanamide?
The InChIKey is PLLVJIRUSWMTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O2/c1-16(21)11-9-7-5-3-4-6-8-10-12-18(22)19-17-13-14-20(2)15-17/h17H,3-15H2,1-2H3,(H,19,22).
What are the key properties of N-(1-methylpyrrolidin-3-yl)-12-oxotridecanamide?
N-(1-methylpyrrolidin-3-yl)-12-oxotridecanamide has a molecular weight of 310.48 g/mol, XLogP of 3.30, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrrolidin-3-yl)-12-oxotridecanamide is sourced from PubChem (CID 169229027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).