N-[2-(oxolane-2-carbonylamino)ethyl]oxolane-2-carboxamide

C12H20N2O4 — CID 5082695

IUPACN-[2-(oxolane-2-carbonylamino)ethyl]oxolane-2-carboxamide
SMILESO=C(NCCNC(=O)C1CCCO1)C1CCCO1
InChIInChI=1S/C12H20N2O4/c15-11(9-3-1-7-17-9)13-5-6-14-12(16)10-4-2-8-18-10/h9-10H,1-8H2,(H,13,15)(H,14,16)
InChIKeyJHXDDBLEZRVTJW-UHFFFAOYSA-N
MW256.30 g/mol
LogP-0.42
Rot. Bonds5

About N-[2-(oxolane-2-carbonylamino)ethyl]oxolane-2-carboxamide

N-[2-(oxolane-2-carbonylamino)ethyl]oxolane-2-carboxamide (PubChem CID 5082695) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is N-[2-(oxolane-2-carbonylamino)ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(oxolane-2-carbonylamino)ethyl]oxolane-2-carboxamide
PubChem CID5082695
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC NameN-[2-(oxolane-2-carbonylamino)ethyl]oxolane-2-carboxamide
SMILESO=C(NCCNC(=O)C1CCCO1)C1CCCO1
InChIInChI=1S/C12H20N2O4/c15-11(9-3-1-7-17-9)13-5-6-14-12(16)10-4-2-8-18-10/h9-10H,1-8H2,(H,13,15)(H,14,16)
InChIKeyJHXDDBLEZRVTJW-UHFFFAOYSA-N
XLogP-0.42
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-(oxolane-2-carbonylamino)ethyl]oxolane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(oxolane-2-carbonylamino)ethyl]oxolane-2-carboxamide?
The IUPAC name of N-[2-(oxolane-2-carbonylamino)ethyl]oxolane-2-carboxamide (CID 5082695) is N-[2-(oxolane-2-carbonylamino)ethyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[2-(oxolane-2-carbonylamino)ethyl]oxolane-2-carboxamide?
The canonical SMILES for N-[2-(oxolane-2-carbonylamino)ethyl]oxolane-2-carboxamide is O=C(NCCNC(=O)C1CCCO1)C1CCCO1.
What is the InChIKey of N-[2-(oxolane-2-carbonylamino)ethyl]oxolane-2-carboxamide?
The InChIKey is JHXDDBLEZRVTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c15-11(9-3-1-7-17-9)13-5-6-14-12(16)10-4-2-8-18-10/h9-10H,1-8H2,(H,13,15)(H,14,16).
What are the key properties of N-[2-(oxolane-2-carbonylamino)ethyl]oxolane-2-carboxamide?
N-[2-(oxolane-2-carbonylamino)ethyl]oxolane-2-carboxamide has a molecular weight of 256.30 g/mol, XLogP of -0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(oxolane-2-carbonylamino)ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 5082695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).