N-(1-hydroxypropan-2-yl)-N-methyloxane-3-carboxamide

C10H19NO3 — CID 109388602

IUPACN-(1-hydroxypropan-2-yl)-N-methyloxane-3-carboxamide
SMILESCC(CO)N(C)C(=O)C1CCCOC1
InChIInChI=1S/C10H19NO3/c1-8(6-12)11(2)10(13)9-4-3-5-14-7-9/h8-9,12H,3-7H2,1-2H3
InChIKeyQDDWBJMTIILZCC-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.25
Rot. Bonds3

About N-(1-hydroxypropan-2-yl)-N-methyloxane-3-carboxamide

N-(1-hydroxypropan-2-yl)-N-methyloxane-3-carboxamide (PubChem CID 109388602) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-N-methyloxane-3-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-N-methyloxane-3-carboxamide
PubChem CID109388602
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC NameN-(1-hydroxypropan-2-yl)-N-methyloxane-3-carboxamide
SMILESCC(CO)N(C)C(=O)C1CCCOC1
InChIInChI=1S/C10H19NO3/c1-8(6-12)11(2)10(13)9-4-3-5-14-7-9/h8-9,12H,3-7H2,1-2H3
InChIKeyQDDWBJMTIILZCC-UHFFFAOYSA-N
XLogP0.25
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)-N-methyloxane-3-carboxamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-N-methyloxane-3-carboxamide (CID 109388602) is N-(1-hydroxypropan-2-yl)-N-methyloxane-3-carboxamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-N-methyloxane-3-carboxamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-N-methyloxane-3-carboxamide is CC(CO)N(C)C(=O)C1CCCOC1.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-N-methyloxane-3-carboxamide?
The InChIKey is QDDWBJMTIILZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-8(6-12)11(2)10(13)9-4-3-5-14-7-9/h8-9,12H,3-7H2,1-2H3.
What are the key properties of N-(1-hydroxypropan-2-yl)-N-methyloxane-3-carboxamide?
N-(1-hydroxypropan-2-yl)-N-methyloxane-3-carboxamide has a molecular weight of 201.27 g/mol, XLogP of 0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)-N-methyloxane-3-carboxamide is sourced from PubChem (CID 109388602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).