N-propyloxane-3-carboxamide

C9H17NO2 — CID 63085327

IUPACN-propyloxane-3-carboxamide
SMILESCCCNC(=O)C1CCCOC1
InChIInChI=1S/C9H17NO2/c1-2-5-10-9(11)8-4-3-6-12-7-8/h8H,2-7H2,1H3,(H,10,11)
InChIKeyQCETWVBRAZVWBT-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.94
Rot. Bonds3

About N-propyloxane-3-carboxamide

N-propyloxane-3-carboxamide (PubChem CID 63085327) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is N-propyloxane-3-carboxamide.

Molecular Properties

Compound NameN-propyloxane-3-carboxamide
PubChem CID63085327
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC NameN-propyloxane-3-carboxamide
SMILESCCCNC(=O)C1CCCOC1
InChIInChI=1S/C9H17NO2/c1-2-5-10-9(11)8-4-3-6-12-7-8/h8H,2-7H2,1H3,(H,10,11)
InChIKeyQCETWVBRAZVWBT-UHFFFAOYSA-N
XLogP0.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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-propyloxane-3-carboxamide?
The IUPAC name of N-propyloxane-3-carboxamide (CID 63085327) is N-propyloxane-3-carboxamide.
What is the SMILES notation for N-propyloxane-3-carboxamide?
The canonical SMILES for N-propyloxane-3-carboxamide is CCCNC(=O)C1CCCOC1.
What is the InChIKey of N-propyloxane-3-carboxamide?
The InChIKey is QCETWVBRAZVWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-2-5-10-9(11)8-4-3-6-12-7-8/h8H,2-7H2,1H3,(H,10,11).
What are the key properties of N-propyloxane-3-carboxamide?
N-propyloxane-3-carboxamide has a molecular weight of 171.24 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyloxane-3-carboxamide is sourced from PubChem (CID 63085327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).