3-amino-N,N-bis(2-ethoxyethyl)oxolane-3-carboxamide

C13H26N2O4 — CID 82966183

IUPAC3-amino-N,N-bis(2-ethoxyethyl)oxolane-3-carboxamide
SMILESCCOCCN(CCOCC)C(=O)C1(N)CCOC1
InChIInChI=1S/C13H26N2O4/c1-3-17-9-6-15(7-10-18-4-2)12(16)13(14)5-8-19-11-13/h3-11,14H2,1-2H3
InChIKeyQVXFUWXCFYPKGC-UHFFFAOYSA-N
MW274.36 g/mol
LogP0.01
Rot. Bonds9

About 3-amino-N,N-bis(2-ethoxyethyl)oxolane-3-carboxamide

3-amino-N,N-bis(2-ethoxyethyl)oxolane-3-carboxamide (PubChem CID 82966183) has the molecular formula C13H26N2O4 and a molecular weight of 274.36 g/mol. Its IUPAC name is 3-amino-N,N-bis(2-ethoxyethyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N,N-bis(2-ethoxyethyl)oxolane-3-carboxamide
PubChem CID82966183
Molecular FormulaC13H26N2O4
Molecular Weight274.36 g/mol
Exact Mass274.19
IUPAC Name3-amino-N,N-bis(2-ethoxyethyl)oxolane-3-carboxamide
SMILESCCOCCN(CCOCC)C(=O)C1(N)CCOC1
InChIInChI=1S/C13H26N2O4/c1-3-17-9-6-15(7-10-18-4-2)12(16)13(14)5-8-19-11-13/h3-11,14H2,1-2H3
InChIKeyQVXFUWXCFYPKGC-UHFFFAOYSA-N
XLogP0.01
TPSA74.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(2-ethoxyethyl)-N-ethyloxane-4-carboxamide
CID 113280789
3-amino-N-(2-methoxyethyl)-N-(2-methylpropyl)oxolane-3-carboxamide
CID 64891152
4-amino-N-ethyl-N-(2-methoxyethyl)oxane-4-carboxamide
CID 115294699
4-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)oxane-4-carboxamide
CID 115294429
3-amino-N-ethyl-N-(2-methylpropyl)oxolane-3-carboxamide
CID 64892702
3-amino-N-propyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 64893368
3-amino-N-butyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 64893367
4-amino-N,N-diethyloxane-4-carboxamide
CID 115293439
3-amino-N-propan-2-yl-N-propyloxolane-3-carboxamide
CID 64892499
methyl 3-[(3-aminooxolane-3-carbonyl)-(2-methylpropyl)amino]propanoate
CID 64890962
3-amino-N-(1-hydroxypropan-2-yl)-N-methyloxolane-3-carboxamide
CID 104551711
3-amino-N-butan-2-yl-N-ethyloxolane-3-carboxamide
CID 64892703

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,N-bis(2-ethoxyethyl)oxolane-3-carboxamide?
The IUPAC name of 3-amino-N,N-bis(2-ethoxyethyl)oxolane-3-carboxamide (CID 82966183) is 3-amino-N,N-bis(2-ethoxyethyl)oxolane-3-carboxamide.
What is the SMILES notation for 3-amino-N,N-bis(2-ethoxyethyl)oxolane-3-carboxamide?
The canonical SMILES for 3-amino-N,N-bis(2-ethoxyethyl)oxolane-3-carboxamide is CCOCCN(CCOCC)C(=O)C1(N)CCOC1.
What is the InChIKey of 3-amino-N,N-bis(2-ethoxyethyl)oxolane-3-carboxamide?
The InChIKey is QVXFUWXCFYPKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4/c1-3-17-9-6-15(7-10-18-4-2)12(16)13(14)5-8-19-11-13/h3-11,14H2,1-2H3.
What are the key properties of 3-amino-N,N-bis(2-ethoxyethyl)oxolane-3-carboxamide?
3-amino-N,N-bis(2-ethoxyethyl)oxolane-3-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 0.01, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,N-bis(2-ethoxyethyl)oxolane-3-carboxamide is sourced from PubChem (CID 82966183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).