4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[2-(3-methoxyphenoxy)ethyl]benzamide

C23H30N2O4 — CID 46404632

IUPAC4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[2-(3-methoxyphenoxy)ethyl]benzamide
SMILESCOc1cccc(OCCNC(=O)c2ccc(CN3CC(C)OC(C)C3)cc2)c1
InChIInChI=1S/C23H30N2O4/c1-17-14-25(15-18(2)29-17)16-19-7-9-20(10-8-19)23(26)24-11-12-28-22-6-4-5-21(13-22)27-3/h4-10,13,17-18H,11-12,14-16H2,1-3H3,(H,24,26)
InChIKeyBFAFTYASRSXPIL-UHFFFAOYSA-N
MW398.50 g/mol
LogP3.11
Rot. Bonds8

About 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[2-(3-methoxyphenoxy)ethyl]benzamide

4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[2-(3-methoxyphenoxy)ethyl]benzamide (PubChem CID 46404632) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[2-(3-methoxyphenoxy)ethyl]benzamide.

Molecular Properties

Compound Name4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[2-(3-methoxyphenoxy)ethyl]benzamide
PubChem CID46404632
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC Name4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[2-(3-methoxyphenoxy)ethyl]benzamide
SMILESCOc1cccc(OCCNC(=O)c2ccc(CN3CC(C)OC(C)C3)cc2)c1
InChIInChI=1S/C23H30N2O4/c1-17-14-25(15-18(2)29-17)16-19-7-9-20(10-8-19)23(26)24-11-12-28-22-6-4-5-21(13-22)27-3/h4-10,13,17-18H,11-12,14-16H2,1-3H3,(H,24,26)
InChIKeyBFAFTYASRSXPIL-UHFFFAOYSA-N
XLogP3.11
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 36642356
N-[2-(3-methoxyphenoxy)ethyl]-4-(piperidin-1-ylmethyl)benzamide
CID 46413657
N-[2-(3-methoxyphenoxy)ethyl]-1,3-benzodioxole-5-carboxamide
CID 113099800
4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-[2-(3-methoxyphenoxy)ethyl]benzamide
CID 133244546
N-[2-(3-methoxyphenoxy)ethyl]-3,4-dimethylbenzamide
CID 94051659
N-(3-bromophenyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide
CID 55623885
4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-methoxy-2-phenylethyl)benzamide
CID 60543626
4-(aminomethyl)-N-[2-(3,5-dimethoxyphenoxy)ethyl]benzamide;hydrochloride
CID 119345843
4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 46523366
N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-4-propan-2-yloxybenzamide
CID 46449419
N-[2-(3-methoxyphenoxy)ethyl]-2-(4-methoxyphenyl)acetamide
CID 46399940
4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 55623953

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[2-(3-methoxyphenoxy)ethyl]benzamide?
The IUPAC name of 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[2-(3-methoxyphenoxy)ethyl]benzamide (CID 46404632) is 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[2-(3-methoxyphenoxy)ethyl]benzamide.
What is the SMILES notation for 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[2-(3-methoxyphenoxy)ethyl]benzamide?
The canonical SMILES for 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[2-(3-methoxyphenoxy)ethyl]benzamide is COc1cccc(OCCNC(=O)c2ccc(CN3CC(C)OC(C)C3)cc2)c1.
What is the InChIKey of 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[2-(3-methoxyphenoxy)ethyl]benzamide?
The InChIKey is BFAFTYASRSXPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4/c1-17-14-25(15-18(2)29-17)16-19-7-9-20(10-8-19)23(26)24-11-12-28-22-6-4-5-21(13-22)27-3/h4-10,13,17-18H,11-12,14-16H2,1-3H3,(H,24,26).
What are the key properties of 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[2-(3-methoxyphenoxy)ethyl]benzamide?
4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[2-(3-methoxyphenoxy)ethyl]benzamide has a molecular weight of 398.50 g/mol, XLogP of 3.11, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[2-(3-methoxyphenoxy)ethyl]benzamide is sourced from PubChem (CID 46404632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).