3-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-4-ethoxy-5-methoxybenzamide

C18H27ClN2O4 — CID 46446956

IUPAC3-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-4-ethoxy-5-methoxybenzamide
SMILESCCOc1c(Cl)cc(C(=O)NCCN2CC(C)OC(C)C2)cc1OC
InChIInChI=1S/C18H27ClN2O4/c1-5-24-17-15(19)8-14(9-16(17)23-4)18(22)20-6-7-21-10-12(2)25-13(3)11-21/h8-9,12-13H,5-7,10-11H2,1-4H3,(H,20,22)
InChIKeyRZDIVSVLQFHWGC-UHFFFAOYSA-N
MW370.88 g/mol
LogP2.59
Rot. Bonds7

About 3-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-4-ethoxy-5-methoxybenzamide

3-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-4-ethoxy-5-methoxybenzamide (PubChem CID 46446956) has the molecular formula C18H27ClN2O4 and a molecular weight of 370.88 g/mol. Its IUPAC name is 3-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-4-ethoxy-5-methoxybenzamide.

Molecular Properties

Compound Name3-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-4-ethoxy-5-methoxybenzamide
PubChem CID46446956
Molecular FormulaC18H27ClN2O4
Molecular Weight370.88 g/mol
Exact Mass370.17
IUPAC Name3-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-4-ethoxy-5-methoxybenzamide
SMILESCCOc1c(Cl)cc(C(=O)NCCN2CC(C)OC(C)C2)cc1OC
InChIInChI=1S/C18H27ClN2O4/c1-5-24-17-15(19)8-14(9-16(17)23-4)18(22)20-6-7-21-10-12(2)25-13(3)11-21/h8-9,12-13H,5-7,10-11H2,1-4H3,(H,20,22)
InChIKeyRZDIVSVLQFHWGC-UHFFFAOYSA-N
XLogP2.59
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-4-ethoxy-5-methoxy-N-(2-piperazin-1-ylethyl)benzamide
CID 119445563
3-chloro-4-ethoxy-N-[3-(4-ethylpiperazin-1-yl)propyl]-5-methoxybenzamide
CID 55662367
3-chloro-4-ethoxy-N-ethyl-5-methoxybenzamide
CID 4019804
3-chloro-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-5-methoxy-4-propoxybenzamide
CID 29296275
3-chloro-4-ethoxy-5-methoxy-N-(3-piperazin-1-ylpropyl)benzamide
CID 119391318
3-chloro-4-ethoxy-N-(3-hydroxypentyl)-5-methoxybenzamide
CID 71848078
7-chloro-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-1,3-benzodioxole-5-carboxamide
CID 51931357
4-butoxy-3-chloro-5-methoxy-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119448351
3-chloro-4-ethoxy-N-(3-imidazol-1-ylpropyl)-5-methoxybenzamide
CID 51155753
3-chloro-N-[(3,5-difluorophenyl)methyl]-4-ethoxy-5-methoxybenzamide
CID 37392157
3-chloro-5-methoxy-4-propoxy-N-propylbenzamide
CID 7333465
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-methoxynaphthalene-2-carboxamide
CID 43044370

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-4-ethoxy-5-methoxybenzamide?
The IUPAC name of 3-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-4-ethoxy-5-methoxybenzamide (CID 46446956) is 3-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-4-ethoxy-5-methoxybenzamide.
What is the SMILES notation for 3-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-4-ethoxy-5-methoxybenzamide?
The canonical SMILES for 3-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-4-ethoxy-5-methoxybenzamide is CCOc1c(Cl)cc(C(=O)NCCN2CC(C)OC(C)C2)cc1OC.
What is the InChIKey of 3-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-4-ethoxy-5-methoxybenzamide?
The InChIKey is RZDIVSVLQFHWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2O4/c1-5-24-17-15(19)8-14(9-16(17)23-4)18(22)20-6-7-21-10-12(2)25-13(3)11-21/h8-9,12-13H,5-7,10-11H2,1-4H3,(H,20,22).
What are the key properties of 3-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-4-ethoxy-5-methoxybenzamide?
3-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-4-ethoxy-5-methoxybenzamide has a molecular weight of 370.88 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-4-ethoxy-5-methoxybenzamide is sourced from PubChem (CID 46446956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).