N-[2-[(2R)-pyrrolidin-2-yl]ethyl]dodecanamide

C18H36N2O — CID 104971837

IUPACN-[2-[(2R)-pyrrolidin-2-yl]ethyl]dodecanamide
SMILESCCCCCCCCCCCC(=O)NCC[C@H]1CCCN1
InChIInChI=1S/C18H36N2O/c1-2-3-4-5-6-7-8-9-10-13-18(21)20-16-14-17-12-11-15-19-17/h17,19H,2-16H2,1H3,(H,20,21)/t17-/m1/s1
InChIKeyYNVUNIZQMKUNBF-QGZVFWFLSA-N
MW296.50 g/mol
LogP4.17
Rot. Bonds13

About N-[2-[(2R)-pyrrolidin-2-yl]ethyl]dodecanamide

N-[2-[(2R)-pyrrolidin-2-yl]ethyl]dodecanamide (PubChem CID 104971837) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is N-[2-[(2R)-pyrrolidin-2-yl]ethyl]dodecanamide.

Molecular Properties

Compound NameN-[2-[(2R)-pyrrolidin-2-yl]ethyl]dodecanamide
PubChem CID104971837
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC NameN-[2-[(2R)-pyrrolidin-2-yl]ethyl]dodecanamide
SMILESCCCCCCCCCCCC(=O)NCC[C@H]1CCCN1
InChIInChI=1S/C18H36N2O/c1-2-3-4-5-6-7-8-9-10-13-18(21)20-16-14-17-12-11-15-19-17/h17,19H,2-16H2,1H3,(H,20,21)/t17-/m1/s1
InChIKeyYNVUNIZQMKUNBF-QGZVFWFLSA-N
XLogP4.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-pyrrolidin-2-ylethyl)octanamide
CID 114793852
N-(2-piperidin-2-ylethyl)octanamide
CID 43125232
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]butanamide
CID 104955184
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]propanamide
CID 104955188
N-octyl-2-pyrrolidin-2-ylacetamide
CID 115567860
N-(2-pyrrolidin-2-ylethyl)pent-4-enamide
CID 114793761
5-methyl-N-(2-piperidin-2-ylethyl)hex-5-enamide
CID 144920966
N-[[(2R)-pyrrolidin-2-yl]methyl]pentanamide;hydrochloride
CID 175666343
N-(2-pyrrolidin-2-ylethyl)octan-1-amine
CID 115568837
1-ethyl-3-[2-[(2R)-pyrrolidin-2-yl]ethyl]urea
CID 104972281
3-methyl-N-(2-pyrrolidin-2-ylethyl)butanamide
CID 83619295
3,3-dimethyl-N-(2-pyrrolidin-2-ylethyl)butanamide
CID 114793955

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R)-pyrrolidin-2-yl]ethyl]dodecanamide?
The IUPAC name of N-[2-[(2R)-pyrrolidin-2-yl]ethyl]dodecanamide (CID 104971837) is N-[2-[(2R)-pyrrolidin-2-yl]ethyl]dodecanamide.
What is the SMILES notation for N-[2-[(2R)-pyrrolidin-2-yl]ethyl]dodecanamide?
The canonical SMILES for N-[2-[(2R)-pyrrolidin-2-yl]ethyl]dodecanamide is CCCCCCCCCCCC(=O)NCC[C@H]1CCCN1.
What is the InChIKey of N-[2-[(2R)-pyrrolidin-2-yl]ethyl]dodecanamide?
The InChIKey is YNVUNIZQMKUNBF-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H36N2O/c1-2-3-4-5-6-7-8-9-10-13-18(21)20-16-14-17-12-11-15-19-17/h17,19H,2-16H2,1H3,(H,20,21)/t17-/m1/s1.
What are the key properties of N-[2-[(2R)-pyrrolidin-2-yl]ethyl]dodecanamide?
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]dodecanamide has a molecular weight of 296.50 g/mol, XLogP of 4.17, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R)-pyrrolidin-2-yl]ethyl]dodecanamide is sourced from PubChem (CID 104971837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).