4-(diethylaminomethyl)-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide

C25H35N3O2 — CID 42958898

IUPAC4-(diethylaminomethyl)-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
SMILESCCN(CC)Cc1ccc(C(=O)NC(CN2CCOCC2)c2ccc(C)cc2)cc1
InChIInChI=1S/C25H35N3O2/c1-4-27(5-2)18-21-8-12-23(13-9-21)25(29)26-24(19-28-14-16-30-17-15-28)22-10-6-20(3)7-11-22/h6-13,24H,4-5,14-19H2,1-3H3,(H,26,29)
InChIKeyZVZVDEBKFQJVTJ-UHFFFAOYSA-N
MW409.57 g/mol
LogP3.64
Rot. Bonds9

About 4-(diethylaminomethyl)-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide

4-(diethylaminomethyl)-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide (PubChem CID 42958898) has the molecular formula C25H35N3O2 and a molecular weight of 409.57 g/mol. Its IUPAC name is 4-(diethylaminomethyl)-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide.

Molecular Properties

Compound Name4-(diethylaminomethyl)-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
PubChem CID42958898
Molecular FormulaC25H35N3O2
Molecular Weight409.57 g/mol
Exact Mass409.27
IUPAC Name4-(diethylaminomethyl)-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
SMILESCCN(CC)Cc1ccc(C(=O)NC(CN2CCOCC2)c2ccc(C)cc2)cc1
InChIInChI=1S/C25H35N3O2/c1-4-27(5-2)18-21-8-12-23(13-9-21)25(29)26-24(19-28-14-16-30-17-15-28)22-10-6-20(3)7-11-22/h6-13,24H,4-5,14-19H2,1-3H3,(H,26,29)
InChIKeyZVZVDEBKFQJVTJ-UHFFFAOYSA-N
XLogP3.64
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.57
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-(piperidin-1-ylmethyl)benzamide
CID 24654813
3,4-dimethyl-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 9144477
N-[(1S)-1-(4-methylphenyl)propyl]-4-morpholin-4-ylbenzamide
CID 94018845
4-(acetamidomethyl)-N-(2-morpholin-4-yl-1-phenylethyl)benzamide
CID 18166767
3,5-dimethyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 25485403
N-[2-[[1-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 47011909
4-fluoro-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-nitrobenzamide
CID 9144857
N-[(1R)-1-(4-methylphenyl)propyl]-3-(morpholin-4-ylmethyl)benzamide
CID 94013067
N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 43033641
5-bromo-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide
CID 27362650
N-[(2R)-1-[[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 51963827
4-(furan-2-ylmethylsulfamoyl)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 31443585

Frequently Asked Questions

What is the IUPAC name of 4-(diethylaminomethyl)-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide?
The IUPAC name of 4-(diethylaminomethyl)-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide (CID 42958898) is 4-(diethylaminomethyl)-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide.
What is the SMILES notation for 4-(diethylaminomethyl)-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide?
The canonical SMILES for 4-(diethylaminomethyl)-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide is CCN(CC)Cc1ccc(C(=O)NC(CN2CCOCC2)c2ccc(C)cc2)cc1.
What is the InChIKey of 4-(diethylaminomethyl)-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide?
The InChIKey is ZVZVDEBKFQJVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O2/c1-4-27(5-2)18-21-8-12-23(13-9-21)25(29)26-24(19-28-14-16-30-17-15-28)22-10-6-20(3)7-11-22/h6-13,24H,4-5,14-19H2,1-3H3,(H,26,29).
What are the key properties of 4-(diethylaminomethyl)-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide?
4-(diethylaminomethyl)-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide has a molecular weight of 409.57 g/mol, XLogP of 3.64, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylaminomethyl)-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide is sourced from PubChem (CID 42958898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).