N-dodecyl-2-pyrrolidin-1-ylacetamide

C18H36N2O — CID 11971610

IUPACN-dodecyl-2-pyrrolidin-1-ylacetamide
SMILESCCCCCCCCCCCCNC(=O)CN1CCCC1
InChIInChI=1S/C18H36N2O/c1-2-3-4-5-6-7-8-9-10-11-14-19-18(21)17-20-15-12-13-16-20/h2-17H2,1H3,(H,19,21)
InChIKeyPXFDOUAGACFMTC-UHFFFAOYSA-N
MW296.50 g/mol
LogP4.12
Rot. Bonds13

About N-dodecyl-2-pyrrolidin-1-ylacetamide

N-dodecyl-2-pyrrolidin-1-ylacetamide (PubChem CID 11971610) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is N-dodecyl-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-dodecyl-2-pyrrolidin-1-ylacetamide
PubChem CID11971610
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC NameN-dodecyl-2-pyrrolidin-1-ylacetamide
SMILESCCCCCCCCCCCCNC(=O)CN1CCCC1
InChIInChI=1S/C18H36N2O/c1-2-3-4-5-6-7-8-9-10-11-14-19-18(21)17-20-15-12-13-16-20/h2-17H2,1H3,(H,19,21)
InChIKeyPXFDOUAGACFMTC-UHFFFAOYSA-N
XLogP4.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 54.12
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

N-dodecyl-2-piperidin-1-ylacetamide
CID 3064220
2-(azepan-1-yl)-N-pentylacetamide
CID 109006030
N-butyl-2-pyrrolidin-1-ylacetamide
CID 110687965
2-(4-ethylpiperazin-1-yl)-N-pentylacetamide
CID 108995511
N-propyl-2-pyrrolidin-1-ylacetamide
CID 22117904
N-heptyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
CID 22272726
N-heptyl-2-[4-(3-hydroxypropyl)piperazin-1-yl]acetamide
CID 22272678
2-(4-methylpiperidin-1-yl)-N-pentylacetamide
CID 108993711
N-ethyl-4-[2-oxo-2-(pentylamino)ethyl]piperazine-1-carboxamide
CID 78827366
2-[4,7-bis(carboxymethyl)-10-[2-oxo-2-(6-pyrrolidin-1-ylhexylamino)ethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 167457655
N-hexyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide
CID 111334118
1-pentyl-3-(6-piperidin-1-ylhexyl)urea
CID 58599050

Frequently Asked Questions

What is the IUPAC name of N-dodecyl-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-dodecyl-2-pyrrolidin-1-ylacetamide (CID 11971610) is N-dodecyl-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-dodecyl-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-dodecyl-2-pyrrolidin-1-ylacetamide is CCCCCCCCCCCCNC(=O)CN1CCCC1.
What is the InChIKey of N-dodecyl-2-pyrrolidin-1-ylacetamide?
The InChIKey is PXFDOUAGACFMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-2-3-4-5-6-7-8-9-10-11-14-19-18(21)17-20-15-12-13-16-20/h2-17H2,1H3,(H,19,21).
What are the key properties of N-dodecyl-2-pyrrolidin-1-ylacetamide?
N-dodecyl-2-pyrrolidin-1-ylacetamide has a molecular weight of 296.50 g/mol, XLogP of 4.12, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-dodecyl-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 11971610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).