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

C9H18N2O3 — CID 63753369

IUPACN-[2-(2-aminoethoxy)ethyl]oxolane-2-carboxamide
SMILESNCCOCCNC(=O)C1CCCO1
InChIInChI=1S/C9H18N2O3/c10-3-6-13-7-4-11-9(12)8-2-1-5-14-8/h8H,1-7,10H2,(H,11,12)
InChIKeyJZLMXZIMWKDTAA-UHFFFAOYSA-N
MW202.25 g/mol
LogP-0.74
Rot. Bonds6

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

N-[2-(2-aminoethoxy)ethyl]oxolane-2-carboxamide (PubChem CID 63753369) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is N-[2-(2-aminoethoxy)ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-aminoethoxy)ethyl]oxolane-2-carboxamide
PubChem CID63753369
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC NameN-[2-(2-aminoethoxy)ethyl]oxolane-2-carboxamide
SMILESNCCOCCNC(=O)C1CCCO1
InChIInChI=1S/C9H18N2O3/c10-3-6-13-7-4-11-9(12)8-2-1-5-14-8/h8H,1-7,10H2,(H,11,12)
InChIKeyJZLMXZIMWKDTAA-UHFFFAOYSA-N
XLogP-0.74
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.74
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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Related Compounds

N-[2-(2-hydroxyethoxy)ethyl]oxane-2-carboxamide
CID 62498272
N-(2-methoxyethyl)oxolane-2-carboxamide
CID 4190232
N-[2-(2-methoxyethylamino)-2-oxoethyl]oxolane-2-carboxamide
CID 112991151
(2S)-N-(2-piperidin-4-yloxyethyl)oxolane-2-carboxamide
CID 104856278
N-[2-(2-methoxyethylamino)ethyl]oxolane-2-carboxamide
CID 82993664
(2S)-N-[3-(4-aminocyclohexyl)oxypropyl]oxolane-2-carboxamide
CID 98574633
(2R)-N-pentyloxolane-2-carboxamide
CID 146504537
(2R)-N-but-3-enyloxolane-2-carboxamide
CID 104861411
N-[2-(3,5-dimethylphenoxy)ethyl]oxolane-2-carboxamide
CID 47380053
ethyl 4-[[(2S)-oxolane-2-carbonyl]amino]butanoate
CID 103872319
(2R)-N-(methoxymethyl)oxolane-2-carboxamide
CID 68732384
N-[2-(2,4-difluorophenoxy)ethyl]oxolane-2-carboxamide
CID 113102317

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethoxy)ethyl]oxolane-2-carboxamide?
The IUPAC name of N-[2-(2-aminoethoxy)ethyl]oxolane-2-carboxamide (CID 63753369) is N-[2-(2-aminoethoxy)ethyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[2-(2-aminoethoxy)ethyl]oxolane-2-carboxamide?
The canonical SMILES for N-[2-(2-aminoethoxy)ethyl]oxolane-2-carboxamide is NCCOCCNC(=O)C1CCCO1.
What is the InChIKey of N-[2-(2-aminoethoxy)ethyl]oxolane-2-carboxamide?
The InChIKey is JZLMXZIMWKDTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c10-3-6-13-7-4-11-9(12)8-2-1-5-14-8/h8H,1-7,10H2,(H,11,12).
What are the key properties of N-[2-(2-aminoethoxy)ethyl]oxolane-2-carboxamide?
N-[2-(2-aminoethoxy)ethyl]oxolane-2-carboxamide has a molecular weight of 202.25 g/mol, XLogP of -0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethoxy)ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 63753369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).