N-propyl-N-prop-2-ynylmorpholine-4-carboxamide

C11H18N2O2 — CID 78969956

IUPACN-propyl-N-prop-2-ynylmorpholine-4-carboxamide
SMILESC#CCN(CCC)C(=O)N1CCOCC1
InChIInChI=1S/C11H18N2O2/c1-3-5-12(6-4-2)11(14)13-7-9-15-10-8-13/h1H,4-10H2,2H3
InChIKeyNPLQETCZJLKSLQ-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.78
Rot. Bonds3

About N-propyl-N-prop-2-ynylmorpholine-4-carboxamide

N-propyl-N-prop-2-ynylmorpholine-4-carboxamide (PubChem CID 78969956) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is N-propyl-N-prop-2-ynylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-propyl-N-prop-2-ynylmorpholine-4-carboxamide
PubChem CID78969956
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC NameN-propyl-N-prop-2-ynylmorpholine-4-carboxamide
SMILESC#CCN(CCC)C(=O)N1CCOCC1
InChIInChI=1S/C11H18N2O2/c1-3-5-12(6-4-2)11(14)13-7-9-15-10-8-13/h1H,4-10H2,2H3
InChIKeyNPLQETCZJLKSLQ-UHFFFAOYSA-N
XLogP0.78
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-propyl-N-prop-2-ynylmorpholine-4-carboxamide?
The IUPAC name of N-propyl-N-prop-2-ynylmorpholine-4-carboxamide (CID 78969956) is N-propyl-N-prop-2-ynylmorpholine-4-carboxamide.
What is the SMILES notation for N-propyl-N-prop-2-ynylmorpholine-4-carboxamide?
The canonical SMILES for N-propyl-N-prop-2-ynylmorpholine-4-carboxamide is C#CCN(CCC)C(=O)N1CCOCC1.
What is the InChIKey of N-propyl-N-prop-2-ynylmorpholine-4-carboxamide?
The InChIKey is NPLQETCZJLKSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-3-5-12(6-4-2)11(14)13-7-9-15-10-8-13/h1H,4-10H2,2H3.
What are the key properties of N-propyl-N-prop-2-ynylmorpholine-4-carboxamide?
N-propyl-N-prop-2-ynylmorpholine-4-carboxamide has a molecular weight of 210.28 g/mol, XLogP of 0.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N-prop-2-ynylmorpholine-4-carboxamide is sourced from PubChem (CID 78969956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).