N,N'-dimethyl-5-oxo-5-(2,2,3,4,4-pentamethyl-6-oxooxan-3-yl)pentanimidamide

C17H30N2O3 — CID 159979599

IUPACN,N'-dimethyl-5-oxo-5-(2,2,3,4,4-pentamethyl-6-oxooxan-3-yl)pentanimidamide
SMILESC/N=C(/CCCC(=O)C1(C)C(C)(C)CC(=O)OC1(C)C)NC
InChIInChI=1S/C17H30N2O3/c1-15(2)11-14(21)22-16(3,4)17(15,5)12(20)9-8-10-13(18-6)19-7/h8-11H2,1-7H3,(H,18,19)
InChIKeyOFOWNOMPTJOAGC-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.73
Rot. Bonds5

About N,N'-dimethyl-5-oxo-5-(2,2,3,4,4-pentamethyl-6-oxooxan-3-yl)pentanimidamide

N,N'-dimethyl-5-oxo-5-(2,2,3,4,4-pentamethyl-6-oxooxan-3-yl)pentanimidamide (PubChem CID 159979599) has the molecular formula C17H30N2O3 and a molecular weight of 310.44 g/mol. Its IUPAC name is N,N'-dimethyl-5-oxo-5-(2,2,3,4,4-pentamethyl-6-oxooxan-3-yl)pentanimidamide.

Molecular Properties

Compound NameN,N'-dimethyl-5-oxo-5-(2,2,3,4,4-pentamethyl-6-oxooxan-3-yl)pentanimidamide
PubChem CID159979599
Molecular FormulaC17H30N2O3
Molecular Weight310.44 g/mol
Exact Mass310.23
IUPAC NameN,N'-dimethyl-5-oxo-5-(2,2,3,4,4-pentamethyl-6-oxooxan-3-yl)pentanimidamide
SMILESC/N=C(/CCCC(=O)C1(C)C(C)(C)CC(=O)OC1(C)C)NC
InChIInChI=1S/C17H30N2O3/c1-15(2)11-14(21)22-16(3,4)17(15,5)12(20)9-8-10-13(18-6)19-7/h8-11H2,1-7H3,(H,18,19)
InChIKeyOFOWNOMPTJOAGC-UHFFFAOYSA-N
XLogP2.73
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N,N'-dimethyl-5-oxo-5-(2,2,3,4,4-pentamethyl-6-oxooxan-3-yl)pentanimidamide 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 N,N'-dimethyl-5-oxo-5-(2,2,3,4,4-pentamethyl-6-oxooxan-3-yl)pentanimidamide?
The IUPAC name of N,N'-dimethyl-5-oxo-5-(2,2,3,4,4-pentamethyl-6-oxooxan-3-yl)pentanimidamide (CID 159979599) is N,N'-dimethyl-5-oxo-5-(2,2,3,4,4-pentamethyl-6-oxooxan-3-yl)pentanimidamide.
What is the SMILES notation for N,N'-dimethyl-5-oxo-5-(2,2,3,4,4-pentamethyl-6-oxooxan-3-yl)pentanimidamide?
The canonical SMILES for N,N'-dimethyl-5-oxo-5-(2,2,3,4,4-pentamethyl-6-oxooxan-3-yl)pentanimidamide is C/N=C(/CCCC(=O)C1(C)C(C)(C)CC(=O)OC1(C)C)NC.
What is the InChIKey of N,N'-dimethyl-5-oxo-5-(2,2,3,4,4-pentamethyl-6-oxooxan-3-yl)pentanimidamide?
The InChIKey is OFOWNOMPTJOAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O3/c1-15(2)11-14(21)22-16(3,4)17(15,5)12(20)9-8-10-13(18-6)19-7/h8-11H2,1-7H3,(H,18,19).
What are the key properties of N,N'-dimethyl-5-oxo-5-(2,2,3,4,4-pentamethyl-6-oxooxan-3-yl)pentanimidamide?
N,N'-dimethyl-5-oxo-5-(2,2,3,4,4-pentamethyl-6-oxooxan-3-yl)pentanimidamide has a molecular weight of 310.44 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-5-oxo-5-(2,2,3,4,4-pentamethyl-6-oxooxan-3-yl)pentanimidamide is sourced from PubChem (CID 159979599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).