3-methyl-N-[4-methyl-3-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide

C21H25N3O3 — CID 143219426

IUPAC3-methyl-N-[4-methyl-3-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide
SMILESCc1cccc(C(=O)Nc2ccc(C)c(NC(=O)CN3CCOCC3)c2)c1
InChIInChI=1S/C21H25N3O3/c1-15-4-3-5-17(12-15)21(26)22-18-7-6-16(2)19(13-18)23-20(25)14-24-8-10-27-11-9-24/h3-7,12-13H,8-11,14H2,1-2H3,(H,22,26)(H,23,25)
InChIKeySAJJBWKLLYDFRB-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.83
Rot. Bonds5

About 3-methyl-N-[4-methyl-3-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide

3-methyl-N-[4-methyl-3-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide (PubChem CID 143219426) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 3-methyl-N-[4-methyl-3-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[4-methyl-3-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide
PubChem CID143219426
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name3-methyl-N-[4-methyl-3-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide
SMILESCc1cccc(C(=O)Nc2ccc(C)c(NC(=O)CN3CCOCC3)c2)c1
InChIInChI=1S/C21H25N3O3/c1-15-4-3-5-17(12-15)21(26)22-18-7-6-16(2)19(13-18)23-20(25)14-24-8-10-27-11-9-24/h3-7,12-13H,8-11,14H2,1-2H3,(H,22,26)(H,23,25)
InChIKeySAJJBWKLLYDFRB-UHFFFAOYSA-N
XLogP2.83
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzothiazol-6-yl)-4-methyl-3-[(2-morpholin-4-ylacetyl)amino]benzamide
CID 172661523
N-(2-methylphenyl)-2-morpholin-4-ylacetamide
CID 744983
N-(3-bromo-4-methylphenyl)-2-morpholin-4-ylacetamide;hydrochloride
CID 90485324
N-(3,4-dimethylphenyl)-3-(morpholin-4-ylmethyl)benzamide
CID 46769268
N-butyl-3-[(2-morpholin-4-ylacetyl)amino]benzamide
CID 54813916
N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-3-nitrobenzamide
CID 16611977
N-(2,3-dimethylphenyl)-2-morpholin-4-ylacetamide
CID 755358
N-(3-methylbenzimidazol-5-yl)-3-[(2-morpholin-4-ylacetyl)amino]benzamide
CID 46974295
N-(3-methylphenyl)-2-[(2-morpholin-4-ylacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 4209085
N-(2-acetyl-4-methylphenyl)-2-morpholin-4-ylacetamide
CID 135053120
ethane;N-(4-methylphenyl)-2-morpholin-4-ylacetamide
CID 142923820
2-[4-[2-(3-methylanilino)-2-oxoethyl]piperazin-1-yl]-5-[(3-methylbenzoyl)amino]benzoic acid
CID 46363244

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-methyl-3-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide?
The IUPAC name of 3-methyl-N-[4-methyl-3-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide (CID 143219426) is 3-methyl-N-[4-methyl-3-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide.
What is the SMILES notation for 3-methyl-N-[4-methyl-3-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide?
The canonical SMILES for 3-methyl-N-[4-methyl-3-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide is Cc1cccc(C(=O)Nc2ccc(C)c(NC(=O)CN3CCOCC3)c2)c1.
What is the InChIKey of 3-methyl-N-[4-methyl-3-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide?
The InChIKey is SAJJBWKLLYDFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-15-4-3-5-17(12-15)21(26)22-18-7-6-16(2)19(13-18)23-20(25)14-24-8-10-27-11-9-24/h3-7,12-13H,8-11,14H2,1-2H3,(H,22,26)(H,23,25).
What are the key properties of 3-methyl-N-[4-methyl-3-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide?
3-methyl-N-[4-methyl-3-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide has a molecular weight of 367.45 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-methyl-3-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide is sourced from PubChem (CID 143219426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).