4-[[1-cyclopropylethyl(2-methoxyethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one

C17H31NO3 — CID 79912579

IUPAC4-[[1-cyclopropylethyl(2-methoxyethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one
SMILESCOCCN(CC1C(=O)C(C)(C)OC1(C)C)C(C)C1CC1
InChIInChI=1S/C17H31NO3/c1-12(13-7-8-13)18(9-10-20-6)11-14-15(19)17(4,5)21-16(14,2)3/h12-14H,7-11H2,1-6H3
InChIKeyNZQYURUTDOXNLY-UHFFFAOYSA-N
MW297.44 g/mol
LogP2.51
Rot. Bonds7

About 4-[[1-cyclopropylethyl(2-methoxyethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one

4-[[1-cyclopropylethyl(2-methoxyethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one (PubChem CID 79912579) has the molecular formula C17H31NO3 and a molecular weight of 297.44 g/mol. Its IUPAC name is 4-[[1-cyclopropylethyl(2-methoxyethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one.

Molecular Properties

Compound Name4-[[1-cyclopropylethyl(2-methoxyethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one
PubChem CID79912579
Molecular FormulaC17H31NO3
Molecular Weight297.44 g/mol
Exact Mass297.23
IUPAC Name4-[[1-cyclopropylethyl(2-methoxyethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one
SMILESCOCCN(CC1C(=O)C(C)(C)OC1(C)C)C(C)C1CC1
InChIInChI=1S/C17H31NO3/c1-12(13-7-8-13)18(9-10-20-6)11-14-15(19)17(4,5)21-16(14,2)3/h12-14H,7-11H2,1-6H3
InChIKeyNZQYURUTDOXNLY-UHFFFAOYSA-N
XLogP2.51
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 79933677
CID 79933677
CID 79912465
CID 79912465
CID 79912814
CID 79912814
CID 79913010
CID 79913010
CID 79913932
CID 79913932
CID 79913939
CID 79913939
CID 79915130
CID 79915130
CID 79929042
CID 79929042
CID 79929043
CID 79929043
CID 79929131
CID 79929131
CID 79929132
CID 79929132
CID 79929213
CID 79929213

Frequently Asked Questions

What is the IUPAC name of 4-[[1-cyclopropylethyl(2-methoxyethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one?
The IUPAC name of 4-[[1-cyclopropylethyl(2-methoxyethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one (CID 79912579) is 4-[[1-cyclopropylethyl(2-methoxyethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one.
What is the SMILES notation for 4-[[1-cyclopropylethyl(2-methoxyethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one?
The canonical SMILES for 4-[[1-cyclopropylethyl(2-methoxyethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one is COCCN(CC1C(=O)C(C)(C)OC1(C)C)C(C)C1CC1.
What is the InChIKey of 4-[[1-cyclopropylethyl(2-methoxyethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one?
The InChIKey is NZQYURUTDOXNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO3/c1-12(13-7-8-13)18(9-10-20-6)11-14-15(19)17(4,5)21-16(14,2)3/h12-14H,7-11H2,1-6H3.
What are the key properties of 4-[[1-cyclopropylethyl(2-methoxyethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one?
4-[[1-cyclopropylethyl(2-methoxyethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one has a molecular weight of 297.44 g/mol, XLogP of 2.51, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-cyclopropylethyl(2-methoxyethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one is sourced from PubChem (CID 79912579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).