N'-(1,3-benzodioxol-5-yl)-N-(4-methylcyclohexyl)oxamide

C16H20N2O4 — CID 2223231

IUPACN'-(1,3-benzodioxol-5-yl)-N-(4-methylcyclohexyl)oxamide
SMILESCC1CCC(NC(=O)C(=O)Nc2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C16H20N2O4/c1-10-2-4-11(5-3-10)17-15(19)16(20)18-12-6-7-13-14(8-12)22-9-21-13/h6-8,10-11H,2-5,9H2,1H3,(H,17,19)(H,18,20)
InChIKeyKTOFACMYFWLKMT-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.05
Rot. Bonds2

About N'-(1,3-benzodioxol-5-yl)-N-(4-methylcyclohexyl)oxamide

N'-(1,3-benzodioxol-5-yl)-N-(4-methylcyclohexyl)oxamide (PubChem CID 2223231) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is N'-(1,3-benzodioxol-5-yl)-N-(4-methylcyclohexyl)oxamide.

Molecular Properties

Compound NameN'-(1,3-benzodioxol-5-yl)-N-(4-methylcyclohexyl)oxamide
PubChem CID2223231
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC NameN'-(1,3-benzodioxol-5-yl)-N-(4-methylcyclohexyl)oxamide
SMILESCC1CCC(NC(=O)C(=O)Nc2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C16H20N2O4/c1-10-2-4-11(5-3-10)17-15(19)16(20)18-12-6-7-13-14(8-12)22-9-21-13/h6-8,10-11H,2-5,9H2,1H3,(H,17,19)(H,18,20)
InChIKeyKTOFACMYFWLKMT-UHFFFAOYSA-N
XLogP2.05
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(1,3-benzodioxol-5-yl)-N-(4-methylcyclohexyl)oxamide?
The IUPAC name of N'-(1,3-benzodioxol-5-yl)-N-(4-methylcyclohexyl)oxamide (CID 2223231) is N'-(1,3-benzodioxol-5-yl)-N-(4-methylcyclohexyl)oxamide.
What is the SMILES notation for N'-(1,3-benzodioxol-5-yl)-N-(4-methylcyclohexyl)oxamide?
The canonical SMILES for N'-(1,3-benzodioxol-5-yl)-N-(4-methylcyclohexyl)oxamide is CC1CCC(NC(=O)C(=O)Nc2ccc3c(c2)OCO3)CC1.
What is the InChIKey of N'-(1,3-benzodioxol-5-yl)-N-(4-methylcyclohexyl)oxamide?
The InChIKey is KTOFACMYFWLKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-10-2-4-11(5-3-10)17-15(19)16(20)18-12-6-7-13-14(8-12)22-9-21-13/h6-8,10-11H,2-5,9H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N'-(1,3-benzodioxol-5-yl)-N-(4-methylcyclohexyl)oxamide?
N'-(1,3-benzodioxol-5-yl)-N-(4-methylcyclohexyl)oxamide has a molecular weight of 304.35 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,3-benzodioxol-5-yl)-N-(4-methylcyclohexyl)oxamide is sourced from PubChem (CID 2223231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).