N-[3-(ethylamino)propyl]-2,3-dihydro-1,4-dioxine-5-carboxamide

C10H18N2O3 — CID 43601588

IUPACN-[3-(ethylamino)propyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCCNCCCNC(=O)C1=COCCO1
InChIInChI=1S/C10H18N2O3/c1-2-11-4-3-5-12-10(13)9-8-14-6-7-15-9/h8,11H,2-7H2,1H3,(H,12,13)
InChIKeyQZYAADOPVJTXSG-UHFFFAOYSA-N
MW214.26 g/mol
LogP-0.01
Rot. Bonds6

About N-[3-(ethylamino)propyl]-2,3-dihydro-1,4-dioxine-5-carboxamide

N-[3-(ethylamino)propyl]-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 43601588) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is N-[3-(ethylamino)propyl]-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-[3-(ethylamino)propyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID43601588
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC NameN-[3-(ethylamino)propyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCCNCCCNC(=O)C1=COCCO1
InChIInChI=1S/C10H18N2O3/c1-2-11-4-3-5-12-10(13)9-8-14-6-7-15-9/h8,11H,2-7H2,1H3,(H,12,13)
InChIKeyQZYAADOPVJTXSG-UHFFFAOYSA-N
XLogP-0.01
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(ethylamino)propyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-[3-(ethylamino)propyl]-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 43601588) is N-[3-(ethylamino)propyl]-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-[3-(ethylamino)propyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-[3-(ethylamino)propyl]-2,3-dihydro-1,4-dioxine-5-carboxamide is CCNCCCNC(=O)C1=COCCO1.
What is the InChIKey of N-[3-(ethylamino)propyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is QZYAADOPVJTXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-2-11-4-3-5-12-10(13)9-8-14-6-7-15-9/h8,11H,2-7H2,1H3,(H,12,13).
What are the key properties of N-[3-(ethylamino)propyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-[3-(ethylamino)propyl]-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 214.26 g/mol, XLogP of -0.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(ethylamino)propyl]-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 43601588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).