N-[1-[cyclopropyl(oxane-3-carbonyl)amino]-2-methylpropan-2-yl]oxane-3-carboxamide

C19H32N2O4 — CID 127907795

IUPACN-[1-[cyclopropyl(oxane-3-carbonyl)amino]-2-methylpropan-2-yl]oxane-3-carboxamide
SMILESCC(C)(CN(C(=O)C1CCCOC1)C1CC1)NC(=O)C1CCCOC1
InChIInChI=1S/C19H32N2O4/c1-19(2,20-17(22)14-5-3-9-24-11-14)13-21(16-7-8-16)18(23)15-6-4-10-25-12-15/h14-16H,3-13H2,1-2H3,(H,20,22)
InChIKeyGNLVGXCFVOXOQY-UHFFFAOYSA-N
MW352.48 g/mol
LogP1.73
Rot. Bonds6

About N-[1-[cyclopropyl(oxane-3-carbonyl)amino]-2-methylpropan-2-yl]oxane-3-carboxamide

N-[1-[cyclopropyl(oxane-3-carbonyl)amino]-2-methylpropan-2-yl]oxane-3-carboxamide (PubChem CID 127907795) has the molecular formula C19H32N2O4 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-[1-[cyclopropyl(oxane-3-carbonyl)amino]-2-methylpropan-2-yl]oxane-3-carboxamide.

Molecular Properties

Compound NameN-[1-[cyclopropyl(oxane-3-carbonyl)amino]-2-methylpropan-2-yl]oxane-3-carboxamide
PubChem CID127907795
Molecular FormulaC19H32N2O4
Molecular Weight352.48 g/mol
Exact Mass352.24
IUPAC NameN-[1-[cyclopropyl(oxane-3-carbonyl)amino]-2-methylpropan-2-yl]oxane-3-carboxamide
SMILESCC(C)(CN(C(=O)C1CCCOC1)C1CC1)NC(=O)C1CCCOC1
InChIInChI=1S/C19H32N2O4/c1-19(2,20-17(22)14-5-3-9-24-11-14)13-21(16-7-8-16)18(23)15-6-4-10-25-12-15/h14-16H,3-13H2,1-2H3,(H,20,22)
InChIKeyGNLVGXCFVOXOQY-UHFFFAOYSA-N
XLogP1.73
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[cyclopropyl(oxane-3-carbonyl)amino]-2-methylpropan-2-yl]oxane-3-carboxamide?
The IUPAC name of N-[1-[cyclopropyl(oxane-3-carbonyl)amino]-2-methylpropan-2-yl]oxane-3-carboxamide (CID 127907795) is N-[1-[cyclopropyl(oxane-3-carbonyl)amino]-2-methylpropan-2-yl]oxane-3-carboxamide.
What is the SMILES notation for N-[1-[cyclopropyl(oxane-3-carbonyl)amino]-2-methylpropan-2-yl]oxane-3-carboxamide?
The canonical SMILES for N-[1-[cyclopropyl(oxane-3-carbonyl)amino]-2-methylpropan-2-yl]oxane-3-carboxamide is CC(C)(CN(C(=O)C1CCCOC1)C1CC1)NC(=O)C1CCCOC1.
What is the InChIKey of N-[1-[cyclopropyl(oxane-3-carbonyl)amino]-2-methylpropan-2-yl]oxane-3-carboxamide?
The InChIKey is GNLVGXCFVOXOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O4/c1-19(2,20-17(22)14-5-3-9-24-11-14)13-21(16-7-8-16)18(23)15-6-4-10-25-12-15/h14-16H,3-13H2,1-2H3,(H,20,22).
What are the key properties of N-[1-[cyclopropyl(oxane-3-carbonyl)amino]-2-methylpropan-2-yl]oxane-3-carboxamide?
N-[1-[cyclopropyl(oxane-3-carbonyl)amino]-2-methylpropan-2-yl]oxane-3-carboxamide has a molecular weight of 352.48 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[cyclopropyl(oxane-3-carbonyl)amino]-2-methylpropan-2-yl]oxane-3-carboxamide is sourced from PubChem (CID 127907795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).