4-amino-N-ethyl-N-methyloxolane-3-carboxamide

C8H16N2O2 — CID 66238406

IUPAC4-amino-N-ethyl-N-methyloxolane-3-carboxamide
SMILESCCN(C)C(=O)C1COCC1N
InChIInChI=1S/C8H16N2O2/c1-3-10(2)8(11)6-4-12-5-7(6)9/h6-7H,3-5,9H2,1-2H3
InChIKeySZKIWUUYWRILLH-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.56
Rot. Bonds2

About 4-amino-N-ethyl-N-methyloxolane-3-carboxamide

4-amino-N-ethyl-N-methyloxolane-3-carboxamide (PubChem CID 66238406) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 4-amino-N-ethyl-N-methyloxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-ethyl-N-methyloxolane-3-carboxamide
PubChem CID66238406
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name4-amino-N-ethyl-N-methyloxolane-3-carboxamide
SMILESCCN(C)C(=O)C1COCC1N
InChIInChI=1S/C8H16N2O2/c1-3-10(2)8(11)6-4-12-5-7(6)9/h6-7H,3-5,9H2,1-2H3
InChIKeySZKIWUUYWRILLH-UHFFFAOYSA-N
XLogP-0.56
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]oxolane-3-carboxamide
CID 66240452
4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-N-methyloxolane-3-carboxamide
CID 66240457
4-amino-N-ethyl-N-propan-2-yloxolane-3-carboxamide
CID 66238409
4-[(4-aminooxolane-3-carbonyl)-methylamino]butanoic acid
CID 66236255
4-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyloxolane-3-carboxamide
CID 103188603
4-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]oxolane-3-carboxamide
CID 66240251
4-amino-N-methyl-N-(oxolan-2-ylmethyl)oxolane-3-carboxamide
CID 66237284
4-amino-N-[(4-hydroxyphenyl)methyl]-N-methyloxolane-3-carboxamide
CID 66235837
2-[(4-aminooxolane-3-carbonyl)-methylamino]butanoic acid
CID 66235466
4-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methyloxolane-3-carboxamide
CID 66239265
4-amino-N-(1-cyanopropan-2-yl)-N-methyloxolane-3-carboxamide
CID 66237705
2-[(4-aminooxolane-3-carbonyl)-propylamino]acetic acid
CID 66235465

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-N-methyloxolane-3-carboxamide?
The IUPAC name of 4-amino-N-ethyl-N-methyloxolane-3-carboxamide (CID 66238406) is 4-amino-N-ethyl-N-methyloxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-ethyl-N-methyloxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-ethyl-N-methyloxolane-3-carboxamide is CCN(C)C(=O)C1COCC1N.
What is the InChIKey of 4-amino-N-ethyl-N-methyloxolane-3-carboxamide?
The InChIKey is SZKIWUUYWRILLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-3-10(2)8(11)6-4-12-5-7(6)9/h6-7H,3-5,9H2,1-2H3.
What are the key properties of 4-amino-N-ethyl-N-methyloxolane-3-carboxamide?
4-amino-N-ethyl-N-methyloxolane-3-carboxamide has a molecular weight of 172.23 g/mol, XLogP of -0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-N-methyloxolane-3-carboxamide is sourced from PubChem (CID 66238406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).