3-acetamido-4-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide

C22H27N3O3 — CID 78876482

IUPAC3-acetamido-4-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
SMILESCC(=O)Nc1cc(C(=O)NCc2ccc(CN3CCOCC3)cc2)ccc1C
InChIInChI=1S/C22H27N3O3/c1-16-3-8-20(13-21(16)24-17(2)26)22(27)23-14-18-4-6-19(7-5-18)15-25-9-11-28-12-10-25/h3-8,13H,9-12,14-15H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyRJMVPLMVFQLLJB-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.72
Rot. Bonds6

About 3-acetamido-4-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide

3-acetamido-4-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide (PubChem CID 78876482) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 3-acetamido-4-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-acetamido-4-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
PubChem CID78876482
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name3-acetamido-4-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
SMILESCC(=O)Nc1cc(C(=O)NCc2ccc(CN3CCOCC3)cc2)ccc1C
InChIInChI=1S/C22H27N3O3/c1-16-3-8-20(13-21(16)24-17(2)26)22(27)23-14-18-4-6-19(7-5-18)15-25-9-11-28-12-10-25/h3-8,13H,9-12,14-15H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyRJMVPLMVFQLLJB-UHFFFAOYSA-N
XLogP2.72
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 ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 17397484
N-benzyl-4-(morpholin-4-ylmethyl)benzamide
CID 786772
5-amino-2-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 120640346
4,5-dimethyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]thiophene-2-carboxamide
CID 31445799
3-benzamido-4-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzamide
CID 55635484
methyl 4-methyl-3-[[3-(morpholin-4-ylmethyl)benzoyl]amino]benzoate
CID 30396966
3,4,5-trimethoxy-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 27890450
3-amino-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]benzamide
CID 119890407
3-fluoro-4-methyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 8546489
3-benzamido-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 17226356
4-(morpholin-4-ylmethyl)-N-[6-[[4-(morpholin-4-ylmethyl)benzoyl]amino]hexyl]benzamide
CID 2864244
4-methyl-3-[(4-methylphenyl)sulfonylamino]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 46767776

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-4-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide?
The IUPAC name of 3-acetamido-4-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide (CID 78876482) is 3-acetamido-4-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 3-acetamido-4-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide?
The canonical SMILES for 3-acetamido-4-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide is CC(=O)Nc1cc(C(=O)NCc2ccc(CN3CCOCC3)cc2)ccc1C.
What is the InChIKey of 3-acetamido-4-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide?
The InChIKey is RJMVPLMVFQLLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-16-3-8-20(13-21(16)24-17(2)26)22(27)23-14-18-4-6-19(7-5-18)15-25-9-11-28-12-10-25/h3-8,13H,9-12,14-15H2,1-2H3,(H,23,27)(H,24,26).
What are the key properties of 3-acetamido-4-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide?
3-acetamido-4-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide has a molecular weight of 381.48 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-4-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 78876482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).