N-(2,5-dihydroxy-1H-pyrrol-3-yl)-N-dodecylacetamide

C18H32N2O3 — CID 57288120

IUPACN-(2,5-dihydroxy-1H-pyrrol-3-yl)-N-dodecylacetamide
SMILESCCCCCCCCCCCCN(C(C)=O)c1cc(O)[nH]c1O
InChIInChI=1S/C18H32N2O3/c1-3-4-5-6-7-8-9-10-11-12-13-20(15(2)21)16-14-17(22)19-18(16)23/h14,19,22-23H,3-13H2,1-2H3
InChIKeyRNSCKXWQVSAVAM-UHFFFAOYSA-N
MW324.47 g/mol
LogP4.70
Rot. Bonds12

About N-(2,5-dihydroxy-1H-pyrrol-3-yl)-N-dodecylacetamide

N-(2,5-dihydroxy-1H-pyrrol-3-yl)-N-dodecylacetamide (PubChem CID 57288120) has the molecular formula C18H32N2O3 and a molecular weight of 324.47 g/mol. Its IUPAC name is N-(2,5-dihydroxy-1H-pyrrol-3-yl)-N-dodecylacetamide.

Molecular Properties

Compound NameN-(2,5-dihydroxy-1H-pyrrol-3-yl)-N-dodecylacetamide
PubChem CID57288120
Molecular FormulaC18H32N2O3
Molecular Weight324.47 g/mol
Exact Mass324.24
IUPAC NameN-(2,5-dihydroxy-1H-pyrrol-3-yl)-N-dodecylacetamide
SMILESCCCCCCCCCCCCN(C(C)=O)c1cc(O)[nH]c1O
InChIInChI=1S/C18H32N2O3/c1-3-4-5-6-7-8-9-10-11-12-13-20(15(2)21)16-14-17(22)19-18(16)23/h14,19,22-23H,3-13H2,1-2H3
InChIKeyRNSCKXWQVSAVAM-UHFFFAOYSA-N
XLogP4.70
TPSA76.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 54.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-(2,5-dihydroxy-1H-pyrrol-3-yl)-N-dodecylacetamide?
The IUPAC name of N-(2,5-dihydroxy-1H-pyrrol-3-yl)-N-dodecylacetamide (CID 57288120) is N-(2,5-dihydroxy-1H-pyrrol-3-yl)-N-dodecylacetamide.
What is the SMILES notation for N-(2,5-dihydroxy-1H-pyrrol-3-yl)-N-dodecylacetamide?
The canonical SMILES for N-(2,5-dihydroxy-1H-pyrrol-3-yl)-N-dodecylacetamide is CCCCCCCCCCCCN(C(C)=O)c1cc(O)[nH]c1O.
What is the InChIKey of N-(2,5-dihydroxy-1H-pyrrol-3-yl)-N-dodecylacetamide?
The InChIKey is RNSCKXWQVSAVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O3/c1-3-4-5-6-7-8-9-10-11-12-13-20(15(2)21)16-14-17(22)19-18(16)23/h14,19,22-23H,3-13H2,1-2H3.
What are the key properties of N-(2,5-dihydroxy-1H-pyrrol-3-yl)-N-dodecylacetamide?
N-(2,5-dihydroxy-1H-pyrrol-3-yl)-N-dodecylacetamide has a molecular weight of 324.47 g/mol, XLogP of 4.70, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dihydroxy-1H-pyrrol-3-yl)-N-dodecylacetamide is sourced from PubChem (CID 57288120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).