ethane;1-ethyl-3-hydroxy-N-[2-(2-hydroxyethoxy)ethyl]azetidine-3-carboxamide

C14H32N2O4 — CID 176936404

IUPACethane;1-ethyl-3-hydroxy-N-[2-(2-hydroxyethoxy)ethyl]azetidine-3-carboxamide
SMILESCC.CC.CCN1CC(O)(C(=O)NCCOCCO)C1
InChIInChI=1S/C10H20N2O4.2C2H6/c1-2-12-7-10(15,8-12)9(14)11-3-5-16-6-4-13;2*1-2/h13,15H,2-8H2,1H3,(H,11,14);2*1-2H3
InChIKeyMQCHKBLNBHABOQ-UHFFFAOYSA-N
MW292.42 g/mol
LogP0.23
Rot. Bonds7

About ethane;1-ethyl-3-hydroxy-N-[2-(2-hydroxyethoxy)ethyl]azetidine-3-carboxamide

ethane;1-ethyl-3-hydroxy-N-[2-(2-hydroxyethoxy)ethyl]azetidine-3-carboxamide (PubChem CID 176936404) has the molecular formula C14H32N2O4 and a molecular weight of 292.42 g/mol. Its IUPAC name is ethane;1-ethyl-3-hydroxy-N-[2-(2-hydroxyethoxy)ethyl]azetidine-3-carboxamide.

Molecular Properties

Compound Nameethane;1-ethyl-3-hydroxy-N-[2-(2-hydroxyethoxy)ethyl]azetidine-3-carboxamide
PubChem CID176936404
Molecular FormulaC14H32N2O4
Molecular Weight292.42 g/mol
Exact Mass292.24
IUPAC Nameethane;1-ethyl-3-hydroxy-N-[2-(2-hydroxyethoxy)ethyl]azetidine-3-carboxamide
SMILESCC.CC.CCN1CC(O)(C(=O)NCCOCCO)C1
InChIInChI=1S/C10H20N2O4.2C2H6/c1-2-12-7-10(15,8-12)9(14)11-3-5-16-6-4-13;2*1-2/h13,15H,2-8H2,1H3,(H,11,14);2*1-2H3
InChIKeyMQCHKBLNBHABOQ-UHFFFAOYSA-N
XLogP0.23
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 ethane;1-ethyl-3-hydroxy-N-[2-(2-hydroxyethoxy)ethyl]azetidine-3-carboxamide?
The IUPAC name of ethane;1-ethyl-3-hydroxy-N-[2-(2-hydroxyethoxy)ethyl]azetidine-3-carboxamide (CID 176936404) is ethane;1-ethyl-3-hydroxy-N-[2-(2-hydroxyethoxy)ethyl]azetidine-3-carboxamide.
What is the SMILES notation for ethane;1-ethyl-3-hydroxy-N-[2-(2-hydroxyethoxy)ethyl]azetidine-3-carboxamide?
The canonical SMILES for ethane;1-ethyl-3-hydroxy-N-[2-(2-hydroxyethoxy)ethyl]azetidine-3-carboxamide is CC.CC.CCN1CC(O)(C(=O)NCCOCCO)C1.
What is the InChIKey of ethane;1-ethyl-3-hydroxy-N-[2-(2-hydroxyethoxy)ethyl]azetidine-3-carboxamide?
The InChIKey is MQCHKBLNBHABOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4.2C2H6/c1-2-12-7-10(15,8-12)9(14)11-3-5-16-6-4-13;2*1-2/h13,15H,2-8H2,1H3,(H,11,14);2*1-2H3.
What are the key properties of ethane;1-ethyl-3-hydroxy-N-[2-(2-hydroxyethoxy)ethyl]azetidine-3-carboxamide?
ethane;1-ethyl-3-hydroxy-N-[2-(2-hydroxyethoxy)ethyl]azetidine-3-carboxamide has a molecular weight of 292.42 g/mol, XLogP of 0.23, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-3-hydroxy-N-[2-(2-hydroxyethoxy)ethyl]azetidine-3-carboxamide is sourced from PubChem (CID 176936404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).