N-propan-2-yloxane-3-carboxamide

C9H17NO2 — CID 63084984

IUPACN-propan-2-yloxane-3-carboxamide
SMILESCC(C)NC(=O)C1CCCOC1
InChIInChI=1S/C9H17NO2/c1-7(2)10-9(11)8-4-3-5-12-6-8/h7-8H,3-6H2,1-2H3,(H,10,11)
InChIKeyVJZAKRMLYTUVBT-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.94
Rot. Bonds2

About N-propan-2-yloxane-3-carboxamide

N-propan-2-yloxane-3-carboxamide (PubChem CID 63084984) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is N-propan-2-yloxane-3-carboxamide.

Molecular Properties

Compound NameN-propan-2-yloxane-3-carboxamide
PubChem CID63084984
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC NameN-propan-2-yloxane-3-carboxamide
SMILESCC(C)NC(=O)C1CCCOC1
InChIInChI=1S/C9H17NO2/c1-7(2)10-9(11)8-4-3-5-12-6-8/h7-8H,3-6H2,1-2H3,(H,10,11)
InChIKeyVJZAKRMLYTUVBT-UHFFFAOYSA-N
XLogP0.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yloxane-3-carboxamide?
The IUPAC name of N-propan-2-yloxane-3-carboxamide (CID 63084984) is N-propan-2-yloxane-3-carboxamide.
What is the SMILES notation for N-propan-2-yloxane-3-carboxamide?
The canonical SMILES for N-propan-2-yloxane-3-carboxamide is CC(C)NC(=O)C1CCCOC1.
What is the InChIKey of N-propan-2-yloxane-3-carboxamide?
The InChIKey is VJZAKRMLYTUVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-7(2)10-9(11)8-4-3-5-12-6-8/h7-8H,3-6H2,1-2H3,(H,10,11).
What are the key properties of N-propan-2-yloxane-3-carboxamide?
N-propan-2-yloxane-3-carboxamide has a molecular weight of 171.24 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yloxane-3-carboxamide is sourced from PubChem (CID 63084984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).