N-[1-[cyclopropyl(1,4-dioxane-2-carbonyl)amino]-2-methylpropan-2-yl]-1,4-dioxane-2-carboxamide

C17H28N2O6 — CID 86806973

IUPACN-[1-[cyclopropyl(1,4-dioxane-2-carbonyl)amino]-2-methylpropan-2-yl]-1,4-dioxane-2-carboxamide
SMILESCC(C)(CN(C(=O)C1COCCO1)C1CC1)NC(=O)C1COCCO1
InChIInChI=1S/C17H28N2O6/c1-17(2,18-15(20)13-9-22-5-7-24-13)11-19(12-3-4-12)16(21)14-10-23-6-8-25-14/h12-14H,3-11H2,1-2H3,(H,18,20)
InChIKeyXIBWCVIWVVVXAM-UHFFFAOYSA-N
MW356.42 g/mol
LogP-0.30
Rot. Bonds6

About N-[1-[cyclopropyl(1,4-dioxane-2-carbonyl)amino]-2-methylpropan-2-yl]-1,4-dioxane-2-carboxamide

N-[1-[cyclopropyl(1,4-dioxane-2-carbonyl)amino]-2-methylpropan-2-yl]-1,4-dioxane-2-carboxamide (PubChem CID 86806973) has the molecular formula C17H28N2O6 and a molecular weight of 356.42 g/mol. Its IUPAC name is N-[1-[cyclopropyl(1,4-dioxane-2-carbonyl)amino]-2-methylpropan-2-yl]-1,4-dioxane-2-carboxamide.

Molecular Properties

Compound NameN-[1-[cyclopropyl(1,4-dioxane-2-carbonyl)amino]-2-methylpropan-2-yl]-1,4-dioxane-2-carboxamide
PubChem CID86806973
Molecular FormulaC17H28N2O6
Molecular Weight356.42 g/mol
Exact Mass356.19
IUPAC NameN-[1-[cyclopropyl(1,4-dioxane-2-carbonyl)amino]-2-methylpropan-2-yl]-1,4-dioxane-2-carboxamide
SMILESCC(C)(CN(C(=O)C1COCCO1)C1CC1)NC(=O)C1COCCO1
InChIInChI=1S/C17H28N2O6/c1-17(2,18-15(20)13-9-22-5-7-24-13)11-19(12-3-4-12)16(21)14-10-23-6-8-25-14/h12-14H,3-11H2,1-2H3,(H,18,20)
InChIKeyXIBWCVIWVVVXAM-UHFFFAOYSA-N
XLogP-0.30
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-[cyclopropyl(1,4-dioxane-2-carbonyl)amino]-2-methylpropan-2-yl]-1,4-dioxane-2-carboxamide 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-[1-[cyclopropyl(1,4-dioxane-2-carbonyl)amino]-2-methylpropan-2-yl]-1,4-dioxane-2-carboxamide?
The IUPAC name of N-[1-[cyclopropyl(1,4-dioxane-2-carbonyl)amino]-2-methylpropan-2-yl]-1,4-dioxane-2-carboxamide (CID 86806973) is N-[1-[cyclopropyl(1,4-dioxane-2-carbonyl)amino]-2-methylpropan-2-yl]-1,4-dioxane-2-carboxamide.
What is the SMILES notation for N-[1-[cyclopropyl(1,4-dioxane-2-carbonyl)amino]-2-methylpropan-2-yl]-1,4-dioxane-2-carboxamide?
The canonical SMILES for N-[1-[cyclopropyl(1,4-dioxane-2-carbonyl)amino]-2-methylpropan-2-yl]-1,4-dioxane-2-carboxamide is CC(C)(CN(C(=O)C1COCCO1)C1CC1)NC(=O)C1COCCO1.
What is the InChIKey of N-[1-[cyclopropyl(1,4-dioxane-2-carbonyl)amino]-2-methylpropan-2-yl]-1,4-dioxane-2-carboxamide?
The InChIKey is XIBWCVIWVVVXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O6/c1-17(2,18-15(20)13-9-22-5-7-24-13)11-19(12-3-4-12)16(21)14-10-23-6-8-25-14/h12-14H,3-11H2,1-2H3,(H,18,20).
What are the key properties of N-[1-[cyclopropyl(1,4-dioxane-2-carbonyl)amino]-2-methylpropan-2-yl]-1,4-dioxane-2-carboxamide?
N-[1-[cyclopropyl(1,4-dioxane-2-carbonyl)amino]-2-methylpropan-2-yl]-1,4-dioxane-2-carboxamide has a molecular weight of 356.42 g/mol, XLogP of -0.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[cyclopropyl(1,4-dioxane-2-carbonyl)amino]-2-methylpropan-2-yl]-1,4-dioxane-2-carboxamide is sourced from PubChem (CID 86806973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).