3-methoxy-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide

C21H26N2O3 — CID 31460638

IUPAC3-methoxy-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
SMILESCOc1cccc(C(=O)NC[C@H](c2ccc(C)cc2)N2CCOCC2)c1
InChIInChI=1S/C21H26N2O3/c1-16-6-8-17(9-7-16)20(23-10-12-26-13-11-23)15-22-21(24)18-4-3-5-19(14-18)25-2/h3-9,14,20H,10-13,15H2,1-2H3,(H,22,24)/t20-/m1/s1
InChIKeyUMMUMNQTCSKWJJ-HXUWFJFHSA-N
MW354.45 g/mol
LogP2.81
Rot. Bonds6

About 3-methoxy-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide

3-methoxy-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide (PubChem CID 31460638) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 3-methoxy-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
PubChem CID31460638
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name3-methoxy-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
SMILESCOc1cccc(C(=O)NC[C@H](c2ccc(C)cc2)N2CCOCC2)c1
InChIInChI=1S/C21H26N2O3/c1-16-6-8-17(9-7-16)20(23-10-12-26-13-11-23)15-22-21(24)18-4-3-5-19(14-18)25-2/h3-9,14,20H,10-13,15H2,1-2H3,(H,22,24)/t20-/m1/s1
InChIKeyUMMUMNQTCSKWJJ-HXUWFJFHSA-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

3-methoxy-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 17011132
3-methoxy-N-[(2S)-2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]benzamide
CID 35576988
3-methoxy-N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 35133193
4-methoxy-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 31460518
4-methoxy-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 17011129
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
4-methyl-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 30834547
3-methoxy-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide;hydrochloride
CID 52984959
3-methoxy-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-methylbenzamide
CID 18161673
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-methoxybenzamide
CID 17012199
N-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]pyridine-4-carboxamide
CID 112506741

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide?
The IUPAC name of 3-methoxy-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide (CID 31460638) is 3-methoxy-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide?
The canonical SMILES for 3-methoxy-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide is COc1cccc(C(=O)NC[C@H](c2ccc(C)cc2)N2CCOCC2)c1.
What is the InChIKey of 3-methoxy-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide?
The InChIKey is UMMUMNQTCSKWJJ-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-16-6-8-17(9-7-16)20(23-10-12-26-13-11-23)15-22-21(24)18-4-3-5-19(14-18)25-2/h3-9,14,20H,10-13,15H2,1-2H3,(H,22,24)/t20-/m1/s1.
What are the key properties of 3-methoxy-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide?
3-methoxy-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide 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 3-methoxy-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide is sourced from PubChem (CID 31460638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).