4-benzamido-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzamide

C22H27N3O3 — CID 43048352

IUPAC4-benzamido-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzamide
SMILESCC1CN(CCNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)CC(C)O1
InChIInChI=1S/C22H27N3O3/c1-16-14-25(15-17(2)28-16)13-12-23-21(26)19-8-10-20(11-9-19)24-22(27)18-6-4-3-5-7-18/h3-11,16-17H,12-15H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyMJLZMCBZFCNGAS-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.78
Rot. Bonds6

About 4-benzamido-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzamide

4-benzamido-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzamide (PubChem CID 43048352) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 4-benzamido-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-benzamido-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzamide
PubChem CID43048352
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name4-benzamido-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzamide
SMILESCC1CN(CCNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)CC(C)O1
InChIInChI=1S/C22H27N3O3/c1-16-14-25(15-17(2)28-16)13-12-23-21(26)19-8-10-20(11-9-19)24-22(27)18-6-4-3-5-7-18/h3-11,16-17H,12-15H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyMJLZMCBZFCNGAS-UHFFFAOYSA-N
XLogP2.78
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-benzamido-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119447831
N-[3-[2-(2,6-dimethylmorpholin-4-yl)ethylamino]-3-oxopropyl]naphthalene-2-carboxamide
CID 55580341
N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-4-(phenylcarbamoylamino)benzamide
CID 55637021
1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-phenylurea
CID 51333998
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide
CID 43044444
4-[3-(2,6-dimethylmorpholin-4-yl)propanoylamino]-N-(2-methoxyphenyl)benzamide
CID 46682622
N-[4-(cyclopropylcarbamoyl)phenyl]-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide
CID 46404639
4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-phenylbenzamide
CID 40606298
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-phenylbenzamide
CID 6463291
4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-[2-(2-oxoazepan-1-yl)ethyl]benzamide
CID 39515011
4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N-[2-(2-oxoazepan-1-yl)ethyl]benzamide
CID 39515012
3-[(4-bromophenyl)sulfamoyl]-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzamide
CID 42939983

Frequently Asked Questions

What is the IUPAC name of 4-benzamido-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzamide?
The IUPAC name of 4-benzamido-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzamide (CID 43048352) is 4-benzamido-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzamide.
What is the SMILES notation for 4-benzamido-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzamide?
The canonical SMILES for 4-benzamido-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzamide is CC1CN(CCNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)CC(C)O1.
What is the InChIKey of 4-benzamido-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzamide?
The InChIKey is MJLZMCBZFCNGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-16-14-25(15-17(2)28-16)13-12-23-21(26)19-8-10-20(11-9-19)24-22(27)18-6-4-3-5-7-18/h3-11,16-17H,12-15H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of 4-benzamido-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzamide?
4-benzamido-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzamide has a molecular weight of 381.48 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzamido-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzamide is sourced from PubChem (CID 43048352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).