N-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylbenzamide

C21H26N2O3 — CID 44902864

IUPACN-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylbenzamide
SMILESCOc1cccc(C(CNC(=O)c2ccccc2C)N2CCOCC2)c1
InChIInChI=1S/C21H26N2O3/c1-16-6-3-4-9-19(16)21(24)22-15-20(23-10-12-26-13-11-23)17-7-5-8-18(14-17)25-2/h3-9,14,20H,10-13,15H2,1-2H3,(H,22,24)
InChIKeyXBWUHLPUTGLIEK-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.81
Rot. Bonds6

About N-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylbenzamide

N-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylbenzamide (PubChem CID 44902864) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylbenzamide
PubChem CID44902864
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylbenzamide
SMILESCOc1cccc(C(CNC(=O)c2ccccc2C)N2CCOCC2)c1
InChIInChI=1S/C21H26N2O3/c1-16-6-3-4-9-19(16)21(24)22-15-20(23-10-12-26-13-11-23)17-7-5-8-18(14-17)25-2/h3-9,14,20H,10-13,15H2,1-2H3,(H,22,24)
InChIKeyXBWUHLPUTGLIEK-UHFFFAOYSA-N
XLogP2.81
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]-3,4-dimethylbenzamide
CID 16831444
4-methoxy-N-[(2R)-2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide
CID 30834563
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2,3-dimethylbenzamide
CID 43007764
N-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]pyridine-4-carboxamide
CID 112506741
3-methoxy-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 17011132
3-methoxy-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 31460638
2-methyl-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzamide
CID 16931649
N-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide
CID 16811467
2-(4-chlorophenyl)-N-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide
CID 44902868
N-[(2S)-2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]-2-(4-methylphenoxy)acetamide
CID 30834684
N'-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]-N-[(4-methylphenyl)methyl]oxamide
CID 18589221
2-methyl-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]benzamide
CID 27369763

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylbenzamide?
The IUPAC name of N-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylbenzamide (CID 44902864) is N-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylbenzamide.
What is the SMILES notation for N-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylbenzamide?
The canonical SMILES for N-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylbenzamide is COc1cccc(C(CNC(=O)c2ccccc2C)N2CCOCC2)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylbenzamide?
The InChIKey is XBWUHLPUTGLIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-16-6-3-4-9-19(16)21(24)22-15-20(23-10-12-26-13-11-23)17-7-5-8-18(14-17)25-2/h3-9,14,20H,10-13,15H2,1-2H3,(H,22,24).
What are the key properties of N-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylbenzamide?
N-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylbenzamide has a molecular weight of 354.45 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylbenzamide is sourced from PubChem (CID 44902864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).