N-[2-[(3R,5S)-3,5-dimethylmorpholin-4-yl]-2-oxoethyl]-3,5-dimethylbenzamide

C17H24N2O3 — CID 99700393

IUPACN-[2-[(3R,5S)-3,5-dimethylmorpholin-4-yl]-2-oxoethyl]-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)NCC(=O)N2[C@H](C)COC[C@@H]2C)c1
InChIInChI=1S/C17H24N2O3/c1-11-5-12(2)7-15(6-11)17(21)18-8-16(20)19-13(3)9-22-10-14(19)4/h5-7,13-14H,8-10H2,1-4H3,(H,18,21)/t13-,14+
InChIKeyNGFFCTVZNCGIIN-OKILXGFUSA-N
MW304.39 g/mol
LogP1.67
Rot. Bonds3

About N-[2-[(3R,5S)-3,5-dimethylmorpholin-4-yl]-2-oxoethyl]-3,5-dimethylbenzamide

N-[2-[(3R,5S)-3,5-dimethylmorpholin-4-yl]-2-oxoethyl]-3,5-dimethylbenzamide (PubChem CID 99700393) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-[2-[(3R,5S)-3,5-dimethylmorpholin-4-yl]-2-oxoethyl]-3,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-[(3R,5S)-3,5-dimethylmorpholin-4-yl]-2-oxoethyl]-3,5-dimethylbenzamide
PubChem CID99700393
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN-[2-[(3R,5S)-3,5-dimethylmorpholin-4-yl]-2-oxoethyl]-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)NCC(=O)N2[C@H](C)COC[C@@H]2C)c1
InChIInChI=1S/C17H24N2O3/c1-11-5-12(2)7-15(6-11)17(21)18-8-16(20)19-13(3)9-22-10-14(19)4/h5-7,13-14H,8-10H2,1-4H3,(H,18,21)/t13-,14+
InChIKeyNGFFCTVZNCGIIN-OKILXGFUSA-N
XLogP1.67
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-[(3R,5S)-3,5-dimethylmorpholin-4-yl]-2-oxoethyl]-3,5-dimethylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3R,5S)-3,5-dimethylmorpholin-4-yl]-2-oxoethyl]-3,5-dimethylbenzamide?
The IUPAC name of N-[2-[(3R,5S)-3,5-dimethylmorpholin-4-yl]-2-oxoethyl]-3,5-dimethylbenzamide (CID 99700393) is N-[2-[(3R,5S)-3,5-dimethylmorpholin-4-yl]-2-oxoethyl]-3,5-dimethylbenzamide.
What is the SMILES notation for N-[2-[(3R,5S)-3,5-dimethylmorpholin-4-yl]-2-oxoethyl]-3,5-dimethylbenzamide?
The canonical SMILES for N-[2-[(3R,5S)-3,5-dimethylmorpholin-4-yl]-2-oxoethyl]-3,5-dimethylbenzamide is Cc1cc(C)cc(C(=O)NCC(=O)N2[C@H](C)COC[C@@H]2C)c1.
What is the InChIKey of N-[2-[(3R,5S)-3,5-dimethylmorpholin-4-yl]-2-oxoethyl]-3,5-dimethylbenzamide?
The InChIKey is NGFFCTVZNCGIIN-OKILXGFUSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-11-5-12(2)7-15(6-11)17(21)18-8-16(20)19-13(3)9-22-10-14(19)4/h5-7,13-14H,8-10H2,1-4H3,(H,18,21)/t13-,14+.
What are the key properties of N-[2-[(3R,5S)-3,5-dimethylmorpholin-4-yl]-2-oxoethyl]-3,5-dimethylbenzamide?
N-[2-[(3R,5S)-3,5-dimethylmorpholin-4-yl]-2-oxoethyl]-3,5-dimethylbenzamide has a molecular weight of 304.39 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3R,5S)-3,5-dimethylmorpholin-4-yl]-2-oxoethyl]-3,5-dimethylbenzamide is sourced from PubChem (CID 99700393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).