3,4-dimethyl-N-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]benzamide

C16H22N2O3 — CID 42001425

IUPAC3,4-dimethyl-N-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]benzamide
SMILESCc1ccc(C(=O)NCC(=O)N2CCO[C@@H](C)C2)cc1C
InChIInChI=1S/C16H22N2O3/c1-11-4-5-14(8-12(11)2)16(20)17-9-15(19)18-6-7-21-13(3)10-18/h4-5,8,13H,6-7,9-10H2,1-3H3,(H,17,20)/t13-/m0/s1
InChIKeyMPDLIJDIURFADT-ZDUSSCGKSA-N
MW290.36 g/mol
LogP1.28
Rot. Bonds3

About 3,4-dimethyl-N-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]benzamide

3,4-dimethyl-N-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]benzamide (PubChem CID 42001425) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 3,4-dimethyl-N-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]benzamide
PubChem CID42001425
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name3,4-dimethyl-N-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]benzamide
SMILESCc1ccc(C(=O)NCC(=O)N2CCO[C@@H](C)C2)cc1C
InChIInChI=1S/C16H22N2O3/c1-11-4-5-14(8-12(11)2)16(20)17-9-15(19)18-6-7-21-13(3)10-18/h4-5,8,13H,6-7,9-10H2,1-3H3,(H,17,20)/t13-/m0/s1
InChIKeyMPDLIJDIURFADT-ZDUSSCGKSA-N
XLogP1.28
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]benzamide
CID 46673862
N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-3,4-dimethylbenzamide
CID 51160837
3,5-dimethoxy-N-[2-[(2R)-2-methylmorpholin-4-yl]-2-oxoethyl]benzamide
CID 41247421
3,4-dimethyl-N-[2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 38491208
3,4-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 28708769
3,4-dimethyl-N-[2-[(3R)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]-2-oxoethyl]benzamide
CID 95633023
N-[4-(2-methylmorpholin-4-yl)-4-oxobutyl]benzamide
CID 51296252
N-[2-[2-(hydroxymethyl)morpholin-4-yl]-2-oxoethyl]-3-methylbenzamide
CID 81196262
N-[2-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-2-oxoethyl]-3,4-dimethylbenzamide
CID 38607876
N-[2-[2-(hydroxymethyl)morpholin-4-yl]-2-oxoethyl]benzamide
CID 81209103
3,4-dimethyl-N-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]benzamide
CID 9254212
1-(4-bromophenyl)-3-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]urea
CID 171933307

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]benzamide?
The IUPAC name of 3,4-dimethyl-N-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]benzamide (CID 42001425) is 3,4-dimethyl-N-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]benzamide.
What is the SMILES notation for 3,4-dimethyl-N-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]benzamide?
The canonical SMILES for 3,4-dimethyl-N-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]benzamide is Cc1ccc(C(=O)NCC(=O)N2CCO[C@@H](C)C2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]benzamide?
The InChIKey is MPDLIJDIURFADT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11-4-5-14(8-12(11)2)16(20)17-9-15(19)18-6-7-21-13(3)10-18/h4-5,8,13H,6-7,9-10H2,1-3H3,(H,17,20)/t13-/m0/s1.
What are the key properties of 3,4-dimethyl-N-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]benzamide?
3,4-dimethyl-N-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]benzamide has a molecular weight of 290.36 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 42001425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).