N-[[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl]dodecanamide

C18H36N2O4 — CID 118718742

IUPACN-[[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl]dodecanamide
SMILESCCCCCCCCCCCC(=O)NC[C@H]1N[C@H](CO)[C@H](O)[C@@H]1O
InChIInChI=1S/C18H36N2O4/c1-2-3-4-5-6-7-8-9-10-11-16(22)19-12-14-17(23)18(24)15(13-21)20-14/h14-15,17-18,20-21,23-24H,2-13H2,1H3,(H,19,22)/t14-,15-,17-,18+/m1/s1
InChIKeyDTRSDZHNDHKQMW-AHCXZYCDSA-N
MW344.50 g/mol
LogP1.08
Rot. Bonds13

About N-[[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl]dodecanamide

N-[[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl]dodecanamide (PubChem CID 118718742) has the molecular formula C18H36N2O4 and a molecular weight of 344.50 g/mol. Its IUPAC name is N-[[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl]dodecanamide.

Molecular Properties

Compound NameN-[[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl]dodecanamide
PubChem CID118718742
Molecular FormulaC18H36N2O4
Molecular Weight344.50 g/mol
Exact Mass344.27
IUPAC NameN-[[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl]dodecanamide
SMILESCCCCCCCCCCCC(=O)NC[C@H]1N[C@H](CO)[C@H](O)[C@@H]1O
InChIInChI=1S/C18H36N2O4/c1-2-3-4-5-6-7-8-9-10-11-16(22)19-12-14-17(23)18(24)15(13-21)20-14/h14-15,17-18,20-21,23-24H,2-13H2,1H3,(H,19,22)/t14-,15-,17-,18+/m1/s1
InChIKeyDTRSDZHNDHKQMW-AHCXZYCDSA-N
XLogP1.08
TPSA101.82 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 51.08
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl]dodecanamide?
The IUPAC name of N-[[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl]dodecanamide (CID 118718742) is N-[[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl]dodecanamide.
What is the SMILES notation for N-[[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl]dodecanamide?
The canonical SMILES for N-[[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl]dodecanamide is CCCCCCCCCCCC(=O)NC[C@H]1N[C@H](CO)[C@H](O)[C@@H]1O.
What is the InChIKey of N-[[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl]dodecanamide?
The InChIKey is DTRSDZHNDHKQMW-AHCXZYCDSA-N. The full InChI is InChI=1S/C18H36N2O4/c1-2-3-4-5-6-7-8-9-10-11-16(22)19-12-14-17(23)18(24)15(13-21)20-14/h14-15,17-18,20-21,23-24H,2-13H2,1H3,(H,19,22)/t14-,15-,17-,18+/m1/s1.
What are the key properties of N-[[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl]dodecanamide?
N-[[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl]dodecanamide has a molecular weight of 344.50 g/mol, XLogP of 1.08, 13 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl]dodecanamide is sourced from PubChem (CID 118718742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).