4-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide

C14H21N3O3 — CID 83103739

IUPAC4-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1CC(=O)c1cc(C)[nH]c1C
InChIInChI=1S/C14H21N3O3/c1-9-6-11(10(2)16-9)13(18)7-17-4-5-20-8-12(17)14(19)15-3/h6,12,16H,4-5,7-8H2,1-3H3,(H,15,19)
InChIKeyBMESYYLULUAAAG-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.26
Rot. Bonds4

About 4-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide

4-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide (PubChem CID 83103739) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide
PubChem CID83103739
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name4-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1CC(=O)c1cc(C)[nH]c1C
InChIInChI=1S/C14H21N3O3/c1-9-6-11(10(2)16-9)13(18)7-17-4-5-20-8-12(17)14(19)15-3/h6,12,16H,4-5,7-8H2,1-3H3,(H,15,19)
InChIKeyBMESYYLULUAAAG-UHFFFAOYSA-N
XLogP0.26
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(2,4-dimethylphenyl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide
CID 83101980
4-[2-(2,5-dichlorophenyl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide
CID 83102101
4-[2-(2-chlorophenyl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide
CID 83103176
4-[2-(4-hydroxyphenyl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide
CID 83102810
4-[2-(3,4-difluorophenyl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide
CID 83101984
(3S)-4-ethyl-N-methylmorpholine-3-carboxamide
CID 99978843
N-methyl-4-(2-oxo-2-thiophen-2-ylethyl)morpholine-3-carboxamide
CID 83102887
4-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide
CID 83103671
4-[2-(3-bromothiophen-2-yl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide
CID 83103244
4-[2-(4-aminoanilino)-2-oxoethyl]-N-methylmorpholine-3-carboxamide
CID 83097786
4-[3-(4-fluorophenyl)-2-oxopropyl]-N-methylmorpholine-3-carboxamide
CID 83101284
potassium trifluoro-[[3-(methylcarbamoyl)morpholin-4-yl]methyl]boranuide
CID 83104353

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide?
The IUPAC name of 4-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide (CID 83103739) is 4-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide.
What is the SMILES notation for 4-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide?
The canonical SMILES for 4-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide is CNC(=O)C1COCCN1CC(=O)c1cc(C)[nH]c1C.
What is the InChIKey of 4-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide?
The InChIKey is BMESYYLULUAAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-9-6-11(10(2)16-9)13(18)7-17-4-5-20-8-12(17)14(19)15-3/h6,12,16H,4-5,7-8H2,1-3H3,(H,15,19).
What are the key properties of 4-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide?
4-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide is sourced from PubChem (CID 83103739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).