4-[2-(2,4-dimethylphenyl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide

C16H22N2O3 — CID 83101980

IUPAC4-[2-(2,4-dimethylphenyl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1CC(=O)c1ccc(C)cc1C
InChIInChI=1S/C16H22N2O3/c1-11-4-5-13(12(2)8-11)15(19)9-18-6-7-21-10-14(18)16(20)17-3/h4-5,8,14H,6-7,9-10H2,1-3H3,(H,17,20)
InChIKeyMFHLTVCSJJUXNF-UHFFFAOYSA-N
MW290.36 g/mol
LogP0.93
Rot. Bonds4

About 4-[2-(2,4-dimethylphenyl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide

4-[2-(2,4-dimethylphenyl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide (PubChem CID 83101980) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 4-[2-(2,4-dimethylphenyl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-[2-(2,4-dimethylphenyl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide
PubChem CID83101980
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name4-[2-(2,4-dimethylphenyl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1CC(=O)c1ccc(C)cc1C
InChIInChI=1S/C16H22N2O3/c1-11-4-5-13(12(2)8-11)15(19)9-18-6-7-21-10-14(18)16(20)17-3/h4-5,8,14H,6-7,9-10H2,1-3H3,(H,17,20)
InChIKeyMFHLTVCSJJUXNF-UHFFFAOYSA-N
XLogP0.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(2,5-dichlorophenyl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide
CID 83102101
4-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide
CID 83103739
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
N-methyl-4-(2-oxo-2-thiophen-2-ylethyl)morpholine-3-carboxamide
CID 83102887
(3S)-4-ethyl-N-methylmorpholine-3-carboxamide
CID 99978843
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-fluoro-4-methylbenzoyl)-N-methylmorpholine-3-carboxamide
CID 83097227
4-[2-(4-aminoanilino)-2-oxoethyl]-N-methylmorpholine-3-carboxamide
CID 83097786
4-[2-(aminomethyl)-5-methylphenyl]-N-methylmorpholine-3-carboxamide
CID 83106285

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,4-dimethylphenyl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide?
The IUPAC name of 4-[2-(2,4-dimethylphenyl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide (CID 83101980) is 4-[2-(2,4-dimethylphenyl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide.
What is the SMILES notation for 4-[2-(2,4-dimethylphenyl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide?
The canonical SMILES for 4-[2-(2,4-dimethylphenyl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide is CNC(=O)C1COCCN1CC(=O)c1ccc(C)cc1C.
What is the InChIKey of 4-[2-(2,4-dimethylphenyl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide?
The InChIKey is MFHLTVCSJJUXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11-4-5-13(12(2)8-11)15(19)9-18-6-7-21-10-14(18)16(20)17-3/h4-5,8,14H,6-7,9-10H2,1-3H3,(H,17,20).
What are the key properties of 4-[2-(2,4-dimethylphenyl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide?
4-[2-(2,4-dimethylphenyl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide has a molecular weight of 290.36 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,4-dimethylphenyl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide is sourced from PubChem (CID 83101980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).