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

C22H28N2O3 — CID 16831444

IUPACN-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]-3,4-dimethylbenzamide
SMILESCOc1cccc(C(CNC(=O)c2ccc(C)c(C)c2)N2CCOCC2)c1
InChIInChI=1S/C22H28N2O3/c1-16-7-8-19(13-17(16)2)22(25)23-15-21(24-9-11-27-12-10-24)18-5-4-6-20(14-18)26-3/h4-8,13-14,21H,9-12,15H2,1-3H3,(H,23,25)
InChIKeyDGYKLDJFDYRMJE-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.12
Rot. Bonds6

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

N-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]-3,4-dimethylbenzamide (PubChem CID 16831444) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]-3,4-dimethylbenzamide
PubChem CID16831444
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC NameN-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]-3,4-dimethylbenzamide
SMILESCOc1cccc(C(CNC(=O)c2ccc(C)c(C)c2)N2CCOCC2)c1
InChIInChI=1S/C22H28N2O3/c1-16-7-8-19(13-17(16)2)22(25)23-15-21(24-9-11-27-12-10-24)18-5-4-6-20(14-18)26-3/h4-8,13-14,21H,9-12,15H2,1-3H3,(H,23,25)
InChIKeyDGYKLDJFDYRMJE-UHFFFAOYSA-N
XLogP3.12
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-[(2R)-2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide
CID 30834563
3-methoxy-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-methylbenzamide
CID 18161673
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
N-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]pyridine-4-carboxamide
CID 112506741
N-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylbenzamide
CID 44902864
3-methoxy-N-[(2S)-2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]benzamide
CID 35576988
N-[2-[[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 24646997
4-methoxy-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 17011129
4-methoxy-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 31460518
2-(4-chlorophenyl)-N-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide
CID 44902868
3-methoxy-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide;hydrochloride
CID 52984959

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]-3,4-dimethylbenzamide?
The IUPAC name of N-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]-3,4-dimethylbenzamide (CID 16831444) is N-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]-3,4-dimethylbenzamide is COc1cccc(C(CNC(=O)c2ccc(C)c(C)c2)N2CCOCC2)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]-3,4-dimethylbenzamide?
The InChIKey is DGYKLDJFDYRMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-16-7-8-19(13-17(16)2)22(25)23-15-21(24-9-11-27-12-10-24)18-5-4-6-20(14-18)26-3/h4-8,13-14,21H,9-12,15H2,1-3H3,(H,23,25).
What are the key properties of N-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]-3,4-dimethylbenzamide?
N-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]-3,4-dimethylbenzamide has a molecular weight of 368.48 g/mol, XLogP of 3.12, 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]-3,4-dimethylbenzamide is sourced from PubChem (CID 16831444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).