ethyl 3-methyl-1-[2-(oxan-4-ylamino)-2-oxoethyl]pyrrole-2-carboxylate

C15H22N2O4 — CID 105421747

IUPACethyl 3-methyl-1-[2-(oxan-4-ylamino)-2-oxoethyl]pyrrole-2-carboxylate
SMILESCCOC(=O)c1c(C)ccn1CC(=O)NC1CCOCC1
InChIInChI=1S/C15H22N2O4/c1-3-21-15(19)14-11(2)4-7-17(14)10-13(18)16-12-5-8-20-9-6-12/h4,7,12H,3,5-6,8-10H2,1-2H3,(H,16,18)
InChIKeyYOORYTXCWOUWQC-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.27
Rot. Bonds5

About ethyl 3-methyl-1-[2-(oxan-4-ylamino)-2-oxoethyl]pyrrole-2-carboxylate

ethyl 3-methyl-1-[2-(oxan-4-ylamino)-2-oxoethyl]pyrrole-2-carboxylate (PubChem CID 105421747) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is ethyl 3-methyl-1-[2-(oxan-4-ylamino)-2-oxoethyl]pyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-methyl-1-[2-(oxan-4-ylamino)-2-oxoethyl]pyrrole-2-carboxylate
PubChem CID105421747
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Nameethyl 3-methyl-1-[2-(oxan-4-ylamino)-2-oxoethyl]pyrrole-2-carboxylate
SMILESCCOC(=O)c1c(C)ccn1CC(=O)NC1CCOCC1
InChIInChI=1S/C15H22N2O4/c1-3-21-15(19)14-11(2)4-7-17(14)10-13(18)16-12-5-8-20-9-6-12/h4,7,12H,3,5-6,8-10H2,1-2H3,(H,16,18)
InChIKeyYOORYTXCWOUWQC-UHFFFAOYSA-N
XLogP1.27
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-(2-chloroprop-2-enyl)-3-methylpyrrole-2-carboxylate
CID 105421842
2-(5-methylindol-1-yl)-N-(oxan-4-yl)acetamide
CID 116622948
2-(3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(oxan-4-yl)acetamide
CID 63811876
2-(2,6-dioxo-3-propylpyrimidin-1-yl)-N-(oxan-4-yl)acetamide
CID 63810941
2-[2-[(2-methoxyethylamino)methyl]pyrrol-1-yl]-N-(oxan-4-yl)acetamide
CID 66402639
[2-(oxan-4-ylamino)-2-oxoethyl] 3-amino-4-methylbenzoate
CID 63098369
2-[6-(hydroxymethyl)indol-1-yl]-N-(oxan-4-yl)acetamide
CID 102913062
N-(oxan-4-yl)-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide
CID 75500278
2-[2-[(2-methoxyethylamino)methyl]imidazol-1-yl]-N-(oxan-4-yl)acetamide
CID 66400704
2-(4-methylphenyl)-N-(oxan-4-yl)acetamide
CID 110726863
ethyl 1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpyrrole-2-carboxylate
CID 105421740
2-ethyl-1-[2-(oxan-4-ylamino)-2-oxoethyl]imidazole-4-sulfonyl chloride
CID 82911196

Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-1-[2-(oxan-4-ylamino)-2-oxoethyl]pyrrole-2-carboxylate?
The IUPAC name of ethyl 3-methyl-1-[2-(oxan-4-ylamino)-2-oxoethyl]pyrrole-2-carboxylate (CID 105421747) is ethyl 3-methyl-1-[2-(oxan-4-ylamino)-2-oxoethyl]pyrrole-2-carboxylate.
What is the SMILES notation for ethyl 3-methyl-1-[2-(oxan-4-ylamino)-2-oxoethyl]pyrrole-2-carboxylate?
The canonical SMILES for ethyl 3-methyl-1-[2-(oxan-4-ylamino)-2-oxoethyl]pyrrole-2-carboxylate is CCOC(=O)c1c(C)ccn1CC(=O)NC1CCOCC1.
What is the InChIKey of ethyl 3-methyl-1-[2-(oxan-4-ylamino)-2-oxoethyl]pyrrole-2-carboxylate?
The InChIKey is YOORYTXCWOUWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-3-21-15(19)14-11(2)4-7-17(14)10-13(18)16-12-5-8-20-9-6-12/h4,7,12H,3,5-6,8-10H2,1-2H3,(H,16,18).
What are the key properties of ethyl 3-methyl-1-[2-(oxan-4-ylamino)-2-oxoethyl]pyrrole-2-carboxylate?
ethyl 3-methyl-1-[2-(oxan-4-ylamino)-2-oxoethyl]pyrrole-2-carboxylate has a molecular weight of 294.35 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-1-[2-(oxan-4-ylamino)-2-oxoethyl]pyrrole-2-carboxylate is sourced from PubChem (CID 105421747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).