5-(2,6-dichlorophenoxy)-N-[[(2R,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]pentanamide

C22H27Cl2N3O6 — CID 18633435

IUPAC5-(2,6-dichlorophenoxy)-N-[[(2R,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]pentanamide
SMILESCCc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)CCCCOc3c(Cl)cccc3Cl)O2)c(=O)[nH]c1=O
InChIInChI=1S/C22H27Cl2N3O6/c1-2-13-12-27(22(31)26-21(13)30)19-10-16(28)17(33-19)11-25-18(29)8-3-4-9-32-20-14(23)6-5-7-15(20)24/h5-7,12,16-17,19,28H,2-4,8-11H2,1H3,(H,25,29)(H,26,30,31)/t16-,17+,19+/m0/s1
InChIKeyLAAWVODTELEHAB-YQVWRLOYSA-N
MW500.38 g/mol
LogP2.42
Rot. Bonds10

About 5-(2,6-dichlorophenoxy)-N-[[(2R,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]pentanamide

5-(2,6-dichlorophenoxy)-N-[[(2R,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]pentanamide (PubChem CID 18633435) has the molecular formula C22H27Cl2N3O6 and a molecular weight of 500.38 g/mol. Its IUPAC name is 5-(2,6-dichlorophenoxy)-N-[[(2R,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]pentanamide.

Molecular Properties

Compound Name5-(2,6-dichlorophenoxy)-N-[[(2R,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]pentanamide
PubChem CID18633435
Molecular FormulaC22H27Cl2N3O6
Molecular Weight500.38 g/mol
Exact Mass499.13
IUPAC Name5-(2,6-dichlorophenoxy)-N-[[(2R,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]pentanamide
SMILESCCc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)CCCCOc3c(Cl)cccc3Cl)O2)c(=O)[nH]c1=O
InChIInChI=1S/C22H27Cl2N3O6/c1-2-13-12-27(22(31)26-21(13)30)19-10-16(28)17(33-19)11-25-18(29)8-3-4-9-32-20-14(23)6-5-7-15(20)24/h5-7,12,16-17,19,28H,2-4,8-11H2,1H3,(H,25,29)(H,26,30,31)/t16-,17+,19+/m0/s1
InChIKeyLAAWVODTELEHAB-YQVWRLOYSA-N
XLogP2.42
TPSA122.65 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.38
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-(2,6-dichlorophenoxy)-N-[[(2R,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dichlorophenoxy)-N-[[(2R,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]pentanamide?
The IUPAC name of 5-(2,6-dichlorophenoxy)-N-[[(2R,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]pentanamide (CID 18633435) is 5-(2,6-dichlorophenoxy)-N-[[(2R,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]pentanamide.
What is the SMILES notation for 5-(2,6-dichlorophenoxy)-N-[[(2R,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]pentanamide?
The canonical SMILES for 5-(2,6-dichlorophenoxy)-N-[[(2R,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]pentanamide is CCc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)CCCCOc3c(Cl)cccc3Cl)O2)c(=O)[nH]c1=O.
What is the InChIKey of 5-(2,6-dichlorophenoxy)-N-[[(2R,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]pentanamide?
The InChIKey is LAAWVODTELEHAB-YQVWRLOYSA-N. The full InChI is InChI=1S/C22H27Cl2N3O6/c1-2-13-12-27(22(31)26-21(13)30)19-10-16(28)17(33-19)11-25-18(29)8-3-4-9-32-20-14(23)6-5-7-15(20)24/h5-7,12,16-17,19,28H,2-4,8-11H2,1H3,(H,25,29)(H,26,30,31)/t16-,17+,19+/m0/s1.
What are the key properties of 5-(2,6-dichlorophenoxy)-N-[[(2R,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]pentanamide?
5-(2,6-dichlorophenoxy)-N-[[(2R,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]pentanamide has a molecular weight of 500.38 g/mol, XLogP of 2.42, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dichlorophenoxy)-N-[[(2R,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]pentanamide is sourced from PubChem (CID 18633435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).