4-amino-N-(2-ethoxyethyl)-3-methyloxolane-3-carboxamide

C10H20N2O3 — CID 66249824

IUPAC4-amino-N-(2-ethoxyethyl)-3-methyloxolane-3-carboxamide
SMILESCCOCCNC(=O)C1(C)COCC1N
InChIInChI=1S/C10H20N2O3/c1-3-14-5-4-12-9(13)10(2)7-15-6-8(10)11/h8H,3-7,11H2,1-2H3,(H,12,13)
InChIKeyKAFAZCIMMXIJRE-UHFFFAOYSA-N
MW216.28 g/mol
LogP-0.50
Rot. Bonds5

About 4-amino-N-(2-ethoxyethyl)-3-methyloxolane-3-carboxamide

4-amino-N-(2-ethoxyethyl)-3-methyloxolane-3-carboxamide (PubChem CID 66249824) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 4-amino-N-(2-ethoxyethyl)-3-methyloxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-ethoxyethyl)-3-methyloxolane-3-carboxamide
PubChem CID66249824
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name4-amino-N-(2-ethoxyethyl)-3-methyloxolane-3-carboxamide
SMILESCCOCCNC(=O)C1(C)COCC1N
InChIInChI=1S/C10H20N2O3/c1-3-14-5-4-12-9(13)10(2)7-15-6-8(10)11/h8H,3-7,11H2,1-2H3,(H,12,13)
InChIKeyKAFAZCIMMXIJRE-UHFFFAOYSA-N
XLogP-0.50
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.50
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

2-[2-[(4-amino-3-methyloxolane-3-carbonyl)amino]ethoxy]acetic acid
CID 79457673
4-amino-N-[2-[ethyl(methyl)amino]ethyl]-3-methyloxolane-3-carboxamide
CID 66264175
2-amino-N-(2-ethoxyethyl)-1-methylcyclopentane-1-carboxamide
CID 82764809
4-amino-N-[2-(ethylamino)-2-oxoethyl]-3-methyloxolane-3-carboxamide
CID 66250212
4-amino-N-(3-ethyl-2-hydroxypentyl)-3-methyloxolane-3-carboxamide
CID 106286460
4-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-methyloxolane-3-carboxamide
CID 66263890
4-amino-N-[2-[cyclopropyl(ethyl)amino]ethyl]-3-methyloxolane-3-carboxamide
CID 114133933
4-amino-3-methyl-N-(3-phenylmethoxypropyl)oxolane-3-carboxamide
CID 66251047
ethyl 4-amino-3-methyloxolane-3-carboxylate
CID 66250331
4-amino-3-methyl-N-(3-methylsulfinylbutyl)oxolane-3-carboxamide
CID 113490476
4-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]-3-methyloxolane-3-carboxamide
CID 66264467
4-amino-N-[(3-ethoxyphenyl)methyl]-3-methyloxolane-3-carboxamide
CID 66250428

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-ethoxyethyl)-3-methyloxolane-3-carboxamide?
The IUPAC name of 4-amino-N-(2-ethoxyethyl)-3-methyloxolane-3-carboxamide (CID 66249824) is 4-amino-N-(2-ethoxyethyl)-3-methyloxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-(2-ethoxyethyl)-3-methyloxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-(2-ethoxyethyl)-3-methyloxolane-3-carboxamide is CCOCCNC(=O)C1(C)COCC1N.
What is the InChIKey of 4-amino-N-(2-ethoxyethyl)-3-methyloxolane-3-carboxamide?
The InChIKey is KAFAZCIMMXIJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-3-14-5-4-12-9(13)10(2)7-15-6-8(10)11/h8H,3-7,11H2,1-2H3,(H,12,13).
What are the key properties of 4-amino-N-(2-ethoxyethyl)-3-methyloxolane-3-carboxamide?
4-amino-N-(2-ethoxyethyl)-3-methyloxolane-3-carboxamide has a molecular weight of 216.28 g/mol, XLogP of -0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-ethoxyethyl)-3-methyloxolane-3-carboxamide is sourced from PubChem (CID 66249824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).