4-(acetamidomethyl)-N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]benzamide

C22H25N3O4 — CID 136578771

IUPAC4-(acetamidomethyl)-N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]benzamide
SMILESCC(=O)NCc1ccc(C(=O)Nc2cccc(C(=O)N3CCOCC3)c2C)cc1
InChIInChI=1S/C22H25N3O4/c1-15-19(22(28)25-10-12-29-13-11-25)4-3-5-20(15)24-21(27)18-8-6-17(7-9-18)14-23-16(2)26/h3-9H,10-14H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyJSUNYDLZBMYOEC-UHFFFAOYSA-N
MW395.46 g/mol
LogP2.36
Rot. Bonds5

About 4-(acetamidomethyl)-N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]benzamide

4-(acetamidomethyl)-N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]benzamide (PubChem CID 136578771) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is 4-(acetamidomethyl)-N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name4-(acetamidomethyl)-N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]benzamide
PubChem CID136578771
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Name4-(acetamidomethyl)-N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]benzamide
SMILESCC(=O)NCc1ccc(C(=O)Nc2cccc(C(=O)N3CCOCC3)c2C)cc1
InChIInChI=1S/C22H25N3O4/c1-15-19(22(28)25-10-12-29-13-11-25)4-3-5-20(15)24-21(27)18-8-6-17(7-9-18)14-23-16(2)26/h3-9H,10-14H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyJSUNYDLZBMYOEC-UHFFFAOYSA-N
XLogP2.36
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
CID 56521159
1-[(2-chlorophenyl)methyl]-3-[2-methyl-3-(morpholine-4-carbonyl)phenyl]urea
CID 60569430
4-(acetamidomethyl)-N-(2-methylphenyl)benzamide
CID 18104261
N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide
CID 136518690
3-methyl-N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]triazolo[4,5-b]pyridine-6-carboxamide
CID 167901133
1-[(2,4-dichlorophenyl)methyl]-3-[2-methyl-3-(morpholine-4-carbonyl)phenyl]urea
CID 60569614
N-benzyl-2-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzamide
CID 28565234
2-cyclopropyl-N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]propanamide
CID 126786282
2-(4-cyanoanilino)-N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]acetamide
CID 48501237
N-[2-(morpholine-4-carbonyl)phenyl]-4-phenoxybenzamide
CID 35325582
4-(acetamidomethyl)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
CID 43030692
[3-[(2,5-dimethylphenyl)methylamino]-2-methylphenyl]-morpholin-4-ylmethanone
CID 47622276

Frequently Asked Questions

What is the IUPAC name of 4-(acetamidomethyl)-N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]benzamide?
The IUPAC name of 4-(acetamidomethyl)-N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]benzamide (CID 136578771) is 4-(acetamidomethyl)-N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]benzamide.
What is the SMILES notation for 4-(acetamidomethyl)-N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]benzamide?
The canonical SMILES for 4-(acetamidomethyl)-N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]benzamide is CC(=O)NCc1ccc(C(=O)Nc2cccc(C(=O)N3CCOCC3)c2C)cc1.
What is the InChIKey of 4-(acetamidomethyl)-N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]benzamide?
The InChIKey is JSUNYDLZBMYOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-15-19(22(28)25-10-12-29-13-11-25)4-3-5-20(15)24-21(27)18-8-6-17(7-9-18)14-23-16(2)26/h3-9H,10-14H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of 4-(acetamidomethyl)-N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]benzamide?
4-(acetamidomethyl)-N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]benzamide has a molecular weight of 395.46 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(acetamidomethyl)-N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]benzamide is sourced from PubChem (CID 136578771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).