4-(propylamino)oxane-4-carboxamide

C9H18N2O2 — CID 60796528

IUPAC4-(propylamino)oxane-4-carboxamide
SMILESCCCNC1(C(N)=O)CCOCC1
InChIInChI=1S/C9H18N2O2/c1-2-5-11-9(8(10)12)3-6-13-7-4-9/h11H,2-7H2,1H3,(H2,10,12)
InChIKeyRQTBRJUPFXASLB-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.02
Rot. Bonds4

About 4-(propylamino)oxane-4-carboxamide

4-(propylamino)oxane-4-carboxamide (PubChem CID 60796528) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 4-(propylamino)oxane-4-carboxamide.

Molecular Properties

Compound Name4-(propylamino)oxane-4-carboxamide
PubChem CID60796528
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name4-(propylamino)oxane-4-carboxamide
SMILESCCCNC1(C(N)=O)CCOCC1
InChIInChI=1S/C9H18N2O2/c1-2-5-11-9(8(10)12)3-6-13-7-4-9/h11H,2-7H2,1H3,(H2,10,12)
InChIKeyRQTBRJUPFXASLB-UHFFFAOYSA-N
XLogP0.02
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(propylamino)oxane-4-carboxamide?
The IUPAC name of 4-(propylamino)oxane-4-carboxamide (CID 60796528) is 4-(propylamino)oxane-4-carboxamide.
What is the SMILES notation for 4-(propylamino)oxane-4-carboxamide?
The canonical SMILES for 4-(propylamino)oxane-4-carboxamide is CCCNC1(C(N)=O)CCOCC1.
What is the InChIKey of 4-(propylamino)oxane-4-carboxamide?
The InChIKey is RQTBRJUPFXASLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-2-5-11-9(8(10)12)3-6-13-7-4-9/h11H,2-7H2,1H3,(H2,10,12).
What are the key properties of 4-(propylamino)oxane-4-carboxamide?
4-(propylamino)oxane-4-carboxamide has a molecular weight of 186.25 g/mol, XLogP of 0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propylamino)oxane-4-carboxamide is sourced from PubChem (CID 60796528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).